Propane, 1,1-dichloro-2-methyl-
- Formula: C4H8Cl2
- Molecular weight: 127.012
- IUPAC Standard InChI: InChI=1S/C4H8Cl2/c1-3(2)4(5)6/h3-4H,1-2H3
- IUPAC Standard InChIKey: JVHKSSIDGAUKGK-UHFFFAOYSA-N
- CAS Registry Number: 598-76-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1,1-Dichloroisobutane
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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| Tboil | 378.15 | K | N/A | Kohlraush and Koppl, 1935 | Uncertainty assigned by TRC = 0.5 K; TRC |
Enthalpy of vaporization
| ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 9.25 | 257. | A | Stephenson and Malanowski, 1987 | Based on data from 242. to 379. K.; AC |
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
=
By formula: C4H8Cl2 = C4H8Cl2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -4.15 ± 0.60 | kcal/mol | Eqk | Sharonov, Plaksina, et al., 1975 | liquid phase; AlCl3 |
Gas Chromatography
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Packed | Squalane | 110. | 748. | Engewald, Mai, et al., 1976 | N2, Chromosorb W (60-80 mesh); Column length: 3. m |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxanes | 727. | Zenkevich, 2003 | Program: not specified |
| Capillary | Methyl Silicone | 727. | Zenkevich and Marinichev, 2001 | Program: not specified |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kohlraush and Koppl, 1935
Kohlraush, K.W.F.; Koppl, F.,
The Raman effect. XXXVIII. Raman spectra of organic substances. S. Isomeric paraffin derivatives.,
Monatsh. Chem., 1935, 65, 185. [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]
Sharonov, Plaksina, et al., 1975
Sharonov, K.G.; Plaksina, T.V.; Rozhnov, A.M.,
Equilibrium of isomerization of 1,1-dichloroisobutane,
Zh. Fiz. Khim., 1975, 49, 1848. [all data]
Engewald, Mai, et al., 1976
Engewald, V.W.; Mai, H.; Mühlstädt, M.,
Gaschromatographische Charakterisierung von Chlorierungs-produkten des Isobutens,
J. Prakt. Chem., 1976, 318, 4, 565-574, https://doi.org/10.1002/prac.19763180405
. [all data]
Zenkevich, 2003
Zenkevich, I.G.,
Criteria for Evaluation of Elution Order of Isomeric Organic Compounds,
Zh. Phys. Khim. (Rus.), 2003, 77, 1, 92-98. [all data]
Zenkevich and Marinichev, 2001
Zenkevich, I.G.; Marinichev, A.N.,
Comparison of Topological and Dynamics Molecular Characteristics for Precalculation of Chromatographic Retention Parameters of Organic Compounds (in Russian),
Zh. Struct. Khim., 2001, 42, 5, 893-902. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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