Acetic acid, dichloro-, ethyl ester

Formula: C₄H₆Cl₂O₂
Molecular weight: 156.995
IUPAC Standard InChI: InChI=1S/C4H6Cl2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
IUPAC Standard InChIKey: IWYBVQLPTCMVFO-UHFFFAOYSA-N
CAS Registry Number: 535-15-9
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Dichloroacetic acid, ethyl ester; Ethyl dichloroacetate; Ethyl 2,2-dichloroacetate; Ethyl dichloroethanoate
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Phase change data

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Data compiled as indicated in comments:
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	50.6	kJ/mol	N/A	Majer and Svoboda, 1985
Δ_vapH°	46.2	kJ/mol	A	Stephenson and Malanowski, 1987	Based on data from 283. to 430. K. See also Stull, 1947.; AC
Δ_vapH°	50.60 ± 0.04	kJ/mol	C	Laynez and Wadso, 1972	ALS
Δ_vapH°	50.6 ± 0.1	kJ/mol	C	Laynez, Wadsö, et al., 1972	AC
Δ_vapH°	38.	kJ/mol	E	Schjanberg, 1935	ALS

Antoine Equation Parameters

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

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Temperature (K)	A	B	C	Reference	Comment
282.8 to 429.7	4.8032	1887.446	-36.82	Stull, 1947	Coefficents calculated by NIST from author's data.

References

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Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [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]

Stull, 1947
Stull, Daniel R., Vapor Pressure of Pure Substances. Organic and Inorganic Compounds, Ind. Eng. Chem., 1947, 39, 4, 517-540, https://doi.org/10.1021/ie50448a022 . [all data]

Laynez and Wadso, 1972
Laynez, J.; Wadso, I., Enthalpies of vaporization of organic compounds. IX. Some halogen substituted hydrocarbons and esters, Acta Chem. Scand., 1972, 26, 3148. [all data]

Laynez, Wadsö, et al., 1972
Laynez, José; Wadsö, Ingemar; Haug, Arne; Songstad, J.; Pilotti, Åke, Enthalpies of Vaporization of Organic Compounds. IX. Some Halogen Substituted Hydrocarbons and Esters., Acta Chem. Scand., 1972, 26, 3148-3152, https://doi.org/10.3891/acta.chem.scand.26-3148 . [all data]

Schjanberg, 1935
Schjanberg, E., Die Verbrennungswarmen und die Refraktionsdaten einiger chlorsubstituierter Fettsauren und Ester., Z. Phys. Chem. Abt. A, 1935, 172, 197-233. [all data]

Notes

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Symbols used in this document:

Δ_vapH° Enthalpy of vaporization at standard conditions
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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