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Propane, 1,2-dichloro-

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Gas phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Deltafgas-38.91 ± 0.29kcal/molChydLacher, Amador, et al., 1967Reanalyzed by Cox and Pilcher, 1970, Original value = -38.7 kcal/mol; At 250 C

Condensed phase thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity Value Units Method Reference Comment
Deltacliquid-450.1 ± 2.0kcal/molCcbSmith, Bjellerup, et al., 1953Reanalyzed by Cox and Pilcher, 1970, Original value = -449. ± 2. kcal/mol; ALS

Constant pressure heat capacity of liquid

Cp,liquid (cal/mol*K) Temperature (K) Reference Comment
36.90298.Kurbatov, 1948T = 11 to 156°C, mean Cp three temperatures.; DH

Phase change data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny, director
AC - William E. Acree, Jr., James S. Chickos

Quantity Value Units Method Reference Comment
Tboil370. ± 1.KAVGN/AAverage of 22 out of 23 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus172.75KN/AAnonymous, 1968TRC
Tfus172.62KN/ADreisbach, 1955Uncertainty assigned by TRC = 0.02 K; TRC
Tfus172.73KN/ADreisbach and Martin, 1949Uncertainty assigned by TRC = 0.05 K; TRC
Quantity Value Units Method Reference Comment
Tc578.KN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 3. K; derived from fit of obs. vapor pressure; TRC
Quantity Value Units Method Reference Comment
Pc45.89atmN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 1.48 atm; derived from fit of obs. vapor pressure; TRC
Quantity Value Units Method Reference Comment
rhoc3.452mol/lN/ASteele, Chirico, et al., 1997Uncertainty assigned by TRC = 0.13 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap8.7 ± 0.1kcal/molN/AVarushchenko, Druzhinina, et al., 2007Based on data from 303. - 368. K.; AC
Deltavap8.65 ± 0.02kcal/molCVarushchenko, Druzhinina, et al., 2007AC
Deltavap9.18 ± 0.07kcal/molEBSteele, Chirico, et al., 1997, 2Based on data from 294. - 406. K.; AC
Deltavap8.68kcal/molN/ABasarová and Svoboda, 1991Based on data from 300. - 370. K.; AC
Deltavap8.63 ± 0.02kcal/molCAn and Hu, 1989AC

Enthalpy of vaporization

DeltavapH (kcal/mol) Temperature (K) Method Reference Comment
9.42254.AStephenson and Malanowski, 1987Based on data from 239. - 373. K.; AC
8.29336.N/ADreisbach and Shrader, 1949Based on data from 321. - 369. K. See also Dreisbach and Martin, 1949, 2.; AC
8.20303.N/ANelson and Young, 1933Based on data from 288. - 373. K.; AC

Antoine Equation Parameters

log10(P) = A − (B / (T + C))
    P = vapor pressure (atm)
    T = temperature (K)

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Temperature (K) A B C Reference Comment
317.93 - 369.34.08101296.996-51.559Dreisbach and Shrader, 1949Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kcal/mol) Temperature (K) Reference Comment
1.5172.7Acree, 1991AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Reaction thermochemistry data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

2Hydrogen + Propane, 1,2-dichloro- = Propane + 2Hydrogen chloride

By formula: 2H2 + C3H6Cl2 = C3H8 + 2HCl

Quantity Value Units Method Reference Comment
Deltar-30.24 ± 0.26kcal/molChydLacher, Amador, et al., 1967gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -31.21 ± 0.13 kcal/mol; At 250 C

Propane, 1,2-dichloro- = 1-Propene, 1-chloro- + Hydrogen chloride

By formula: C3H6Cl2 = C3H5Cl + HCl

Quantity Value Units Method Reference Comment
Deltar17.0kcal/molEqkLevanova, Rodova, et al., 1983liquid phase; Flow reactor

2Propane, 2-bromo-1-chloro- = Propane, 1,2-dibromo- + Propane, 1,2-dichloro-

By formula: 2C3H6BrCl = C3H6Br2 + C3H6Cl2

Quantity Value Units Method Reference Comment
Deltar2.2kcal/molEqkLevanova, Rodova, et al., 1983liquid phase; Flow reactor

Propane, 1,2-dichloro- = 1-Propene, 2-chloro- + Hydrogen chloride

By formula: C3H6Cl2 = C3H5Cl + HCl

Quantity Value Units Method Reference Comment
Deltar12.7kcal/molEqkLevanova, Rodova, et al., 1983gas phase; Flow reactor

Henry's Law data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

kH(T) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
H = Henry's law constant for solubility in water at 298.15 K (mol/kg*bar)
d(ln(kH))/d(1/T) = Temperature dependence constant (K)

H (mol/kg*bar) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.344300.LN/A 
0.403700.XN/A 
0.373800.MN/A 
0.343600.XN/A 
0.37 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.303800.XN/A 
0.384700.XN/A 
0.342100.XN/A 
0.354300.XLeighton and Calo, 1981 
0.34 VN/A 

Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Quantity Value Units Method Reference Comment
IE (evaluated)10.8 ± 0.1eVN/AN/AL

Ionization energy determinations

IE (eV) Method Reference Comment
10.73PEBaker, Betteridge, et al., 1971LLK
10.73PEBaker, Betteridge, et al., 1971LLK
10.87 ± 0.05PIWatanabe, Nakayama, et al., 1962RDSH
11.06PEBaker, Betteridge, et al., 1971Vertical value; LLK

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, References, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

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Owner NIST Mass Spectrometry Data Center
Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin Japan AIST/NIMC Database- Spectrum MS-NW-5504
NIST MS number 227646

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Lacher, Amador, et al., 1967
Lacher, J.R.; Amador, A.; Park, J.D., Reaction heats of organic compounds. Part 5.-Heats of hydrogenation of dichloromethane, 1,1- and 1,2-dichloroethane and 1,2-dichloropropane, Trans. Faraday Soc., 1967, 63, 1608-1611. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Smith, Bjellerup, et al., 1953
Smith, L.; Bjellerup, L.; Krook, S.; Westermark, H., Heats of combustion of organic chloro compounds determined by the "quartz wool" method, Acta Chem. Scand., 1953, 7, 65. [all data]

Kurbatov, 1948
Kurbatov, V.Ya., Heat capacity of liquids. 2. Heat capacity and the temperature dependence of heat capacity from halogen derivatives of acylic hydrocarbons, Zh. Obshch. Kim., 1948, 18, 372-389. [all data]

Anonymous, 1968
Anonymous, X., Chemicals and Plastics Physical Properties, 1968, Union Carbide Corp., product bulletin, 1968. [all data]

Dreisbach, 1955
Dreisbach, R.R., Physical Properties of Chemical Compounds, Advances in Chemistry Series No. 15, Am. Chem. Soc.: Washington, D. C., 1955. [all data]

Dreisbach and Martin, 1949
Dreisbach, R.R.; Martin, R.A., Physical Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 2875-8. [all data]

Steele, Chirico, et al., 1997
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Vapor Pressure, Heat Capacity, and Density along the Saturted Line, Measurements for Cyclohexanol, 2-Cyclohexen-1-one, 1,2-Dichloropropane, 1,4-Di-tert-butylbenzene, (±)-2-Ethylhexanoic Acid, 1-(m, J. Chem. Eng. Data, 1997, 42, 1021-36. [all data]

Varushchenko, Druzhinina, et al., 2007
Varushchenko, R.M.; Druzhinina, A.I.; Kuramshina, G.M.; Dorofeeva, O.V., Thermodynamics of vaporization of some freons and halogenated ethanes and propanes, Fluid Phase Equilibria, 2007, 256, 1-2, 112-122, https://doi.org/10.1016/j.fluid.2007.02.017 . [all data]

Steele, Chirico, et al., 1997, 2
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A., Vapor Pressure, Heat Capacity, and Density along the Saturation Line, Measurements for Cyclohexanol, 2-Cyclohexen-1-one, 1,2-Dichloropropane, 1,4-Di- tert -butylbenzene, (±)-2-Ethylhexanoic Acid, 2-(Methylamino)ethanol, Perfluoro- n -heptane, and Sulfolane, J. Chem. Eng. Data, 1997, 42, 6, 1021-1036, https://doi.org/10.1021/je9701036 . [all data]

Basarová and Svoboda, 1991
Basarová, Pavlína; Svoboda, Václav, Calculation of heats of vaporization of halogenated hydrocarbons from saturated vapour pressure data, Fluid Phase Equilibria, 1991, 68, 13-34, https://doi.org/10.1016/0378-3812(91)85008-I . [all data]

An and Hu, 1989
An, Xuwu; Hu, Hui, Enthalpies of Vaporization of Some Multichloro-Alkanes, Acta Phys. Chim. Sin., 1989, 5, 5, 565-571, https://doi.org/10.3866/PKU.WHXB19890511 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Dreisbach and Shrader, 1949
Dreisbach, R.R.; Shrader, S.A., Vapor Pressure--Temperature Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 12, 2879-2880, https://doi.org/10.1021/ie50480a054 . [all data]

Dreisbach and Martin, 1949, 2
Dreisbach, R.R.; Martin, R.A., Physical Data on Some Organic Compounds, Ind. Eng. Chem., 1949, 41, 12, 2875-2878, https://doi.org/10.1021/ie50480a053 . [all data]

Nelson and Young, 1933
Nelson, O.A.; Young, H.D., Vapor Pressures of Fumigants. V. «alpha»,«beta»-Propylene Dichloride 1, J. Am. Chem. Soc., 1933, 55, 6, 2429-2431, https://doi.org/10.1021/ja01333a032 . [all data]

Acree, 1991
Acree, William E., Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation, Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H . [all data]

Levanova, Rodova, et al., 1983
Levanova, S.V.; Rodova, R.M.; Tereshkina, T.P.; Zabrodina, T.I., Thermocatalytic reactions of bromochloropropanes, Russ. J. Phys. Chem. (Engl. Transl.), 1983, 57, 1142-1146. [all data]

Leighton and Calo, 1981
Leighton, D.T.; Calo, J.M., Distribution Coefficients of Chlorinated Hydrocarbons in Dilute Air-Water Systems for Groundwater Contamination Applications, J. Chem. Eng. Data, 1981, 26, 382-385. [all data]

Baker, Betteridge, et al., 1971
Baker, A.D.; Betteridge, D.; Kemp, N.R.; Kirby, R.E., Application of photoelectron spectrometry to pesticide analysis. II.Photoelectron spectra of hydroxy-, and halo-alkanes and halohydrins, Anal. Chem., 1971, 43, 375. [all data]

Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J., Ionization potentials of some molecules, J. Quant. Spectry. Radiative Transfer, 1962, 2, 369. [all data]


Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References