Antoine equation table pdf

Antoine equation constants table pdf.

2. Table of coefficients of Antoine Equation for pure compounds 3. Excel data table The coefficients given in the table below allow to calculate the saturation pressure of the pure substances listed, in mmHg, from the temperature in degree celsius. They are parameters for a modelisation of the saturation pressure as a function of the temperature
following an Antoine Law. Note that the Antoine equation is expressed for the coefficients given in this page as a Log in base 10. Equation 1 : Antoine Equation for calculation of saturation pressure - log base 10 2.

Table of coefficients of Antoine Equation for pure compounds Note the domain of validity of the correlation, in between Tmin and Tmax. The saturation pressure is in mmHg and the temperature in celsius. The classification in the table is done by alphabetical order of the compound name. No guarantee is given on the data provided, the user is
strongly advised to double check the information provided with other sources. It is possible to switch from mmHg - or Torr- to other units by multiplying by the following coefficients : (Pa) (bar) (at) (atm) (Torr) (lbf/in2) 1 Torr 133.322 368 421 0.001 333 224 0.001 359 51 1/760 ≈ 0.001 315 789 1 Torr ≈ 1 mmHg 0.019 336 775 Formula Compound
Name A B C TMIN TMAX C3H6O acetone 7.2316 1277.03 237.23 -32 77 C2H4O2 acetic-acid 7.2996 1479.02 216.82 17 157 C2H3N acetonitrile 7.0735 1279.2 224.01 -13 117 C6H6 benzene 6.90565 1211.033 220.79 -16 104 C4H10 butane 6.80896 935.86 238.73 -78 19 CCL4 carbon-tetrachloride 6.8941 1219.58 227.17 -20 101 C6H5CL
chlorobenzene 6.9781 1431.05 217.56 47 147 C4H9CL 1-chlorobutane 6.9379 1227.43 224.11 -18 112 C4H9CL 2-chlorobutane 6.9447 1195.8 226.01 -23 102 CHCL3 chloroform 6.9371 1171.2 227 -13 97 C6H12 cyclohexane 6.8413 1201.531 222.647 6 105 C5H10 cyclopentane 6.88676 1124.162 231.361 -40 72 C10H22 decane 6.96375 1508.75
195.374 58 203 CH2CL2 dichloromethane 7.0803 1138.91 231.46 -44 59 C4H10O ethyl-ether 6.92032 1064.07 228.8 -61 20 C4H8O2 p-dioxane 7.0063 1288.5 211.01 2 137 C20H42 eicosane 7.1522 2032.7 132.1 198 379 C2H6O Ethyl-alcohol (ethanol) 8.2133 1652.05 231.48 -3 96 C8H10 ethylbenzene 6.95719 1424.255 213.206 26 163 C2H6O2
ethylene-glycol 8.7945 2615.4 244.91 91 221 C7H16 heptane 6.89385 1264.37 216.636 -2 123 C6H14 hexane 6.87024 1168.72 224.21 -25 92 CH4O methanol 8.0724 1574.99 238.87 -16 91 C4H8O2 ethyl-acetate 7.0146 1211.9 216.01 -13 112 CH3NO2 nitromethane 7.044 1291 209.01 5 136 C9H20 nonane 6.9344 1429.46 201.82 39 179 C8H18
octane 6.9094 1349.82 209.385 19 152 C5H12 pentane 6.87632 1075.78 233.205 -50 58 C6H6O phenol 7.1345 1516.07 174.57 72 208 H20 Water 8.07131 1730.63 233.426 1 100 You can download the table above in Excel format here : Excel data table. You can modify the calculation temperature and it calculates the saturation pressure for all the
compounds in the table. Warning : this calculator is provided to illustrate the concepts mentioned in this webpage, it is not intended for detail design. It is not a commercial product, no guarantee is given on the results. Please consult a reputable designer for all detail design you may need.

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(March 2014) (Learn how and when to remove this template message) The Antoine equation is a class of semi-empirical correlations describing the relation between vapor pressure and temperature for pure substances. The Antoine equation is derived from the Clausius–Clapeyron relation. The equation was presented in 1888 by the French engineer
Louis Charles Antoine [fr] (1825–1897).[1] Equation The Antoine equation is log 10 ⁡ p = A − B C + T . {\displaystyle \log _{10}p=A-{\frac {B}{C+T}}.} where p is the vapor pressure, T is temperature (in °C or in K according to the value of C) and A, B and C are component-specific constants. The simplified form with C set to zero: log 10 ⁡ p = A − B T
{\displaystyle \log _{10}p=A-{\frac {B}{T}}} is the August equation, after the German physicist Ernst Ferdinand August (1795–1870).
The August equation describes a linear relation between the logarithm of the pressure and the reciprocal temperature. This assumes a temperature-independent heat of vaporization. The Antoine equation allows an improved, but still inexact description of the change of the heat of vaporization with the temperature. The Antoine equation can also be
transformed in a temperature-explicit form with simple algebraic manipulations: T = B A − log 10 p − C {\displaystyle T={\frac {B}{A-\log _{10}\,p}}-C} Validity range Usually, the Antoine equation cannot be used to describe the entire saturated vapour pressure curve from the triple point to the critical point, because it is not flexible enough.
Therefore, multiple parameter sets for a single component are commonly used. A low-pressure parameter set is used to describe the vapour pressure curve up to the normal boiling point and the second set of parameters is used for the range from the normal boiling point to the critical point. Typical deviations of a parameter fit over the entire range
(experimental data for Benzene) Deviations of an August equation fit (2 parameters) Deviations of an Antoine equation fit (3 parameters) Deviations of a DIPPR 105 equation fit (4 parameters) Example parameters Parameterisation for T in °C and P in mmHg A B C T min. (°C) T max. (°C) Water 8.07131 1730.63 233.426 1 100 Water 8.14019 1810.94
244.485 99 374 Ethanol 8.20417 1642.89 230.300 −57 80 Ethanol 7.68117 1332.04 199.200 77 243 Example calculation The normal boiling point of ethanol is TB = 78.32 °C. P = 10 ( 8.20417 − 1642.89 78.32 + 230.300 ) = 760.0 mmHg P = 10 ( 7.68117 − 1332.04 78.32 + 199.200 ) = 761.0 mmHg {\displaystyle
{\begin{aligned}P&=10^{\left(8.20417-{\frac {1642.89}{78.32+230.300}}\right)}=760.0\ {\text{mmHg}}\\P&=10^{\left(7.68117-{\frac {1332.04}{78.32+199.200}}\right)}=761.0\ {\text{mmHg}}\end{aligned}}} (760 mmHg = 101.325 kPa = 1.000 atm = normal pressure) This example shows a severe problem caused by using two different
sets of coefficients. The described vapor pressure is not continuous—at the normal boiling point the two sets give different results. This causes severe problems for computational techniques which rely on a continuous vapor pressure curve. Two solutions are possible: The first approach uses a single Antoine parameter set over a larger temperature
range and accepts the increased deviation between calculated and real vapor pressures. A variant of this single set approach is using a special parameter set fitted for the examined temperature range. The second solution is switching to another vapor pressure equation with more than three parameters. Commonly used are simple extensions of the
Antoine equation (see below) and the equations of DIPPR or Wagner.[2][3] Units The coefficients of Antoine's equation are normally given in mmHg—even today where the SI is recommended and pascals are preferred. The usage of the pre-SI units has only historic reasons and originates directly from Antoine's original publication.
It is however easy to convert the parameters to different pressure and temperature units. For switching from degrees Celsius to kelvin it is sufficient to subtract 273.15 from the C parameter. For switching from millimeters of mercury to pascals it is sufficient to add the common logarithm of the factor between both units to the A parameter: A P a = A
m m H g + log 10 ⁡ 101325 760 = A m m H g + 2.124903. {\displaystyle A_{\mathrm {Pa} }=A_{\mathrm {mmHg} }+\log _{10}{\frac {101325}{760}}=A_{\mathrm {mmHg} }+2.124903.} The parameters for °C and mmHg for ethanol A, 8.20417 B, 1642.89 C, 230.300 are converted for K and Pa to A, 10.32907 B, 1642.89 C, −42.85 The first
example calculation with TB = 351.47 K becomes log 10 ⁡ ( P ) = 10 .

3291 − 1642 . 89 351 .

47 − 42 . 85 = 5 . 005727378 = log 10 ⁡ ( 101328 P a ) . {\displaystyle \log _{10}(P)=10{.}3291-{\frac {1642{.}89}{351{.}47-42{.}85}}=5{.}005727378=\log _{10}(101328\ \mathrm {Pa} ).} A similarly simple transformation can be used if the common logarithm should be exchanged by the natural logarithm. It is sufficient to multiply the A and B
parameters by ln(10) = 2.302585. The example calculation with the converted parameters (for K and Pa): A, 23.7836 B, 3782.89 C, −42.85 becomes ln ⁡ P = 23 . 7836 − 3782 . 89 351 . 47 − 42 . 85 = 11 . 52616367 = ln ⁡ ( 101332 P a ) . {\displaystyle \ln P=23{.}7836-{\frac {3782{.}89}{351{.}47-42{.}85}}=11{.}52616367=\ln(101332\,\mathrm
{Pa} ).} (The small differences in the results are only caused by the used limited precision of the coefficients). Extension of the Antoine equations To overcome the limits of the Antoine equation some simple extension by additional terms are used: P = exp ⁡ ( A + B C + T + D ⋅ T + E ⋅ T 2 + F ⋅ ln ⁡ ( T ) ) P = exp ⁡ ( A + B C + T + D ⋅ ln ⁡ ( T ) + E ⋅ T F ) .
{\displaystyle {\begin{aligned}P&=\exp {\left(A+{\frac {B}{C+T}}+D\cdot T+E\cdot T^{2}+F\cdot \ln \left(T\right)\right)}\\P&=\exp \left(A+{\frac {B}{C+T}}+D\cdot \ln \left(T\right)+E\cdot T^{F}\right).\end{aligned}}} The additional parameters increase the flexibility of the equation and allow the description of the entire vapor pressure
curve. The extended equation forms can be reduced to the original form by setting the additional parameters D, E and F to 0. A further difference is that the extended equations use the e as base for the exponential function and the natural logarithm. This doesn't affect the equation form. Sources for Antoine equation parameters NIST Chemistry
WebBook Dortmund Data Bank Directory of reference books and data banks containing Antoine constants Several reference books and publications, e. g. Lange's Handbook of Chemistry, McGraw-Hill Professional Wichterle I., Linek J., "Antoine Vapor Pressure Constants of Pure Compounds" Yaws C. L., Yang H.-C., "To Estimate Vapor Pressure Easily.
Antoine Coefficients Relate Vapor Pressure to Temperature for Almost 700 Major Organic Compounds", Hydrocarbon Processing, 68(10), Pages 65–68, 1989 See also Vapour pressure of water Arden Buck equation Lee–Kesler method Goff–Gratch equation Raoult's law Thermodynamic activity References ^ Antoine, C. (1888), "Tensions des vapeurs;
nouvelle relation entre les tensions et les températures" [Vapor Pressure: a new relationship between pressure and temperature], Comptes Rendus des Séances de l'Académie des Sciences (in French), 107: 681–684, 778–780, 836–837 ^ Wagner, W. (1973), "New vapour pressure measurements for argon and nitrogen and a new method for
establishing rational vapour pressure equations", Cryogenics, 13 (8): 470–482, Bibcode:1973Cryo...13..470W, doi:10.1016/0011-2275(73)90003-9 ^ Reid, Robert C.; Prausnitz, J.
M.; Sherwood, Thomas K.
(1977), Properties of Gases and Liquids (3rd ed.), New York: McGraw-Hill, ISBN 978-007051790-5 External links Gallica, scanned original paper NIST Chemistry Web Book Calculation of vapor pressures with the Antoine equation Retrieved from "