n-Propyl chloride
- Formula: C3H7Cl
- Molecular weight: 78.541
- IUPAC Standard InChI: InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3
- IUPAC Standard InChIKey: SNMVRZFUUCLYTO-UHFFFAOYSA-N
- CAS Registry Number: 540-54-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Propane, 1-chloro-; Propyl chloride; 1-Chloropropane; n-C3H7Cl; Chloropropane; UN 1278
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction thermochemistry data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -132.5 ± 0.92 | kJ/mol | Ccb | Fletcher and Pilcher, 1971 | |
| ΔfH°gas | -131.2 ± 0.84 | kJ/mol | Chyd | Davies, Lacher, et al., 1965 | Reanalyzed by Cox and Pilcher, 1970, Original value = -129.5 kJ/mol |
| ΔfH°gas | -132.5 | kJ/mol | Eqk | Kabo and Andreevskii, 1965 | Correction by Andreevskii, 1972 |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°gas | -2072.1 ± 0.79 | kJ/mol | Ccb | Fletcher and Pilcher, 1971 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, References, Notes
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 |
|---|---|---|---|---|---|
| ΔcH°liquid | -2025. ± 8. | kJ/mol | Ccb | Smith, Bjellerup, et al., 1953 | ALS |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 130.5 | 297. | Eucken, 1948 | T = 200 to 297 K. (4 pts). from unpublished measurements of A. Landsberg.; DH |
| 132.2 | 298. | Kurbatov, 1948 | T = -39 to 43°C, mean Cp, two temperatures.; DH |
| 131.4 | 298. | von Reis, 1881 | T = 288 to 333 K.; DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References, Notes
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:
B - John E. Bartmess
ALS - 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
+
= (
•
)
By formula: Br- + C3H7Cl = (Br- • C3H7Cl)
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | 50.6 ± 4.2 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔrG° | 24.9 ± 0.84 | kJ/mol | TDAs | Li, Ross, et al., 1996 | gas phase; B |
=
By formula: C3H7Cl = C3H7Cl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -12.7 ± 0.8 | kJ/mol | Eqk | Kabo and Andreevskii, 1965 | gas phase; Correction by Andreevskii, 1972; ALS |
+
=
+
By formula: H2 + C3H7Cl = C3H8 + HCl
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -65.81 ± 0.67 | kJ/mol | Chyd | Davies, Lacher, et al., 1965 | gas phase; ALS |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fletcher and Pilcher, 1971
Fletcher, R.A.; Pilcher, G.,
Measurements of heats of combustion by flame calorimetry. Part 7.-Chloromethane, chloroethane, 1-chloropropane, 2-chloropropane,
Trans. Faraday Soc., 1971, 67, 3191-3201. [all data]
Davies, Lacher, et al., 1965
Davies, J.; Lacher, J.R.; Park, J.D.,
Reaction heats of organic compounds. Part 4.-Heats of hydrogenation of n- and iso-Propyl bromides and chlorides,
Trans. Faraday Soc., 1965, 61, 2413-2416. [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]
Kabo and Andreevskii, 1965
Kabo, G. Ya; Andreevskii, D.N.,
Thermodynamics of monochloropropane isomerization,
Neftekhimiya, 1965, 5, 132-135. [all data]
Andreevskii, 1972
Andreevskii, D.N.,
Thermochemistry of organic halogeno-compounds,
Russ. J. Phys. Chem. (Engl. Transl.), 1972, 46, 819-820. [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]
Eucken, 1948
Eucken, A.,
Assoziation in Flüssigkeiten,
Z. Elektrochem., 1948, 52, 255-269. [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]
von Reis, 1881
von Reis, M.A.,
Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht,
Ann. Physik [3], 1881, 13, 447-464. [all data]
Li, Ross, et al., 1996
Li, C.; Ross, P.; Szulejko, J.; McMahon, T.B.,
High-Pressure Mass Spectrometric Investigations of the Potential Energy Surfaces of Gas-Phase Sn2 Reactions.,
J. Am. Chem. Soc., 1996, 118, 39, 9360, https://doi.org/10.1021/ja960565o
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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