Propane, 2-methoxy-
- Formula: C4H10O
- Molecular weight: 74.1216
- IUPAC Standard InChIKey: RMGHERXMTMUMMV-UHFFFAOYSA-N
- CAS Registry Number: 598-53-8
- 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: Ether, isopropyl methyl; Isopropyl methyl ether; Isopryl; Methyl isopropyl ether; 2-Methoxypropane; i-C3H7OCH3
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -60.24 ± 0.23 | kcal/mol | Cm | Pilcher, Pell, et al., 1964 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°gas | -657.53 ± 0.22 | kcal/mol | Cm | Pilcher, Pell, et al., 1964 | Corresponding ΔfHºgas = -60.25 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 81.64 | cal/mol*K | N/A | Andon R.J.L., 1975 | GT |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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: Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
S°liquid | 60.64 | cal/mol*K | N/A | Andon and Martin, 1975 |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
38.70 | 298.15 | Andon and Martin, 1975 | T = 12 to 350 K. |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Mass spectrum (electron ionization), 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 303.9 | K | N/A | Majer and Svoboda, 1985 | |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 127.93 | K | N/A | Wilhoit, Chao, et al., 1985 | Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 127.93 | K | N/A | Andon and Martin, 1975, 2 | Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 123.06 | K | N/A | Andon and Martin, 1975, 2 | Metastable crystal phase; Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 464.5 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 464.48 | K | N/A | Ambrose, Broderick, et al., 1974 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 37.13 | atm | N/A | Ambrose, Broderick, et al., 1974 | Uncertainty assigned by TRC = 0.04 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 6.401 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 6.312 | kcal/mol | C | Majer, Wagner, et al., 1980 | ALS |
ΔvapH° | 6.31 ± 0.02 | kcal/mol | C | Majer, Wagner, et al., 1980 | AC |
ΔvapH° | 6.31 | kcal/mol | N/A | Ambrose, Ellender, et al., 1976 | AC |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.226 | 303.9 | N/A | Majer and Svoboda, 1985 | |
6.88 | 265. | A | Stephenson and Malanowski, 1987 | Based on data from 250. to 325. K.; AC |
6.79 | 275. | A | Stephenson and Malanowski, 1987 | Based on data from 260. to 325. K. See also Ambrose, Ellender, et al., 1976.; AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
298. to 323. | 10.17 | 0.2858 | 464.5 | Majer and Svoboda, 1985 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.40 | 127.3 | Domalski and Hearing, 1996 | AC |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
1.398 | 127.93 | crystaline, I | liquid | Andon and Martin, 1975 | DH |
1.219 | 123.06 | crystaline, II | liquid | Andon and Martin, 1975 | Metastable crystals.; DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
10.93 | 127.93 | crystaline, I | liquid | Andon and Martin, 1975 | DH |
9.904 | 123.06 | crystaline, II | liquid | Andon and Martin, 1975 | Metastable; DH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.
Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
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. |
---|---|
NIST MS number | 333 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, 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.
Pilcher, Pell, et al., 1964
Pilcher, G.; Pell, A.S.; Coleman, D.J.,
Measurements of heats of combustion by flame calorimetry. Part 2-Dimethyl ether, methyl ethyl ether, methyl n-propyl ether, methyl isopropyl ether,
Trans. Faraday Soc., 1964, 60, 499-505. [all data]
Andon R.J.L., 1975
Andon R.J.L.,
Thermodynamic properties of organic oxygen compounds. 40. Heat capacity and entropy of six ethers,
J. Chem. Thermodyn., 1975, 7, 593-606. [all data]
Andon and Martin, 1975
Andon, R.J.L.; Martin, J.F.,
Thermodynamic properties of organic oxygen compounds. 40. Heat capacity and entropy of six ethers,
J. Chem. Thermodynam., 1975, 7, 593-606. [all data]
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]
Wilhoit, Chao, et al., 1985
Wilhoit, R.C.; Chao, J.; Hall, K.R.,
Thermodynamic Properties of Key Organic Compounds in the Carbon Range C1 to C4. Part 1. Properties of Condensed Phases,
J. Phys. Chem. Ref. Data, 1985, 14, 1. [all data]
Andon and Martin, 1975, 2
Andon, R.J.L.; Martin, J.F.,
Thermodynamic Properties of Organic Oxygen Compounds 40. Heat Capacity and Entropy of Six Ethers,
J. Chem. Thermodyn., 1975, 7, 593. [all data]
Ambrose, Broderick, et al., 1974
Ambrose, D.; Broderick, B.E.; Townsend, R.,
The Critical Temperatures and Pressures of Thirty Organic Compounds,
J. Appl. Chem. Biotechnol., 1974, 24, 359. [all data]
Majer, Wagner, et al., 1980
Majer, V.; Wagner, Z.; Svoboda, V.; Cadek, V.,
Enthalpies of vaporization and cohesive energies for a group of aliphatic ethers,
J. Chem. Thermodyn., 1980, 12, 387-391. [all data]
Ambrose, Ellender, et al., 1976
Ambrose, D.; Ellender, J.H.; Sprake, C.H.S.; Townsend, R.,
Thermodynamic properties of organic oxygen compounds XLIII. Vapour pressures of some ethers,
The Journal of Chemical Thermodynamics, 1976, 8, 2, 165-178, https://doi.org/10.1016/0021-9614(76)90090-2
. [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]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°gas Enthalpy of combustion of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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