Propylene oxide
- Formula: C3H6O
- Molecular weight: 58.0791
- IUPAC Standard InChIKey: GOOHAUXETOMSMM-UHFFFAOYSA-N
- CAS Registry Number: 75-56-9
- 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. - Stereoisomers:
- Other names: Oxirane, methyl-; Epoxypropane; Methyloxirane; Propane, 1,2-epoxy-; Propene oxide; Propylene epoxide; 1,2-Epoxypropane; 1,2-Propylene oxide; 2,3-Epoxypropane; 3-Methyl-1,2-epoxypropane; 2-Methyloxiran; Methylethylene oxide; AD 6; Ethylene oxide, methyl-; NCI-C50099; Oxyde de propylene; Propane, epoxy-; UN 1280; 2-Methyl oxirane; Epihydrin; (.+/-.)-Methyloxirane; AD 6 (suspending agent); Methyloxacyclopropane; Oxirane, 2-methyl-; (.+/-.)-1,2-Epoxypropane
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Phase change data
Go To: Top, IR Spectrum, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 308.0 ± 0.3 | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 161.02 | K | N/A | McDonald, Shrader, et al., 1959 | Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 161.22 | K | N/A | Wilhoit, Chao, et al., 1985 | Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 161.25 | K | N/A | Beaumont, Clegg, et al., 1966 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 161.22 | K | N/A | Oetting, 1964 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 488.2 | K | N/A | Rutenberg and Shakhova, 1973 | Uncertainty assigned by TRC = 5. K; Visual, Vp; TRC |
Tc | 482.3 | K | N/A | Kobe, Ravicz, et al., 1956 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 54.40 | bar | N/A | Rutenberg and Shakhova, 1973 | Uncertainty assigned by TRC = 1.0132 bar; TRC |
Pc | 49.2284 | bar | N/A | Kobe, Ravicz, et al., 1956 | Uncertainty assigned by TRC = 0.3447 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.195 | l/mol | N/A | Rutenberg and Shakhova, 1973 | Uncertainty assigned by TRC = 0.002 l/mol; TRC |
Vc | 0.186 | l/mol | N/A | Kobe, Ravicz, et al., 1956 | Uncertainty assigned by TRC = 0.005 l/mol; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 5.15 | mol/l | N/A | Rutenberg and Shakhova, 1973 | Uncertainty assigned by TRC = 0.1 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 28.31 | kJ/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 27.9 | kJ/mol | C | Sinke and Hildenbrand, 1962 | ALS |
ΔvapH° | 27.9 | kJ/mol | N/A | Sinke and Hildenbrand, 1962 | DRB |
ΔvapH° | 27.9 | kJ/mol | C | Sinke and Hildenbrand, 1962, 2 | AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
27.35 | 307.7 | N/A | Majer and Svoboda, 1985 | |
31.6 | 240. | A | Stephenson and Malanowski, 1987 | Based on data from 225. to 308. K. See also Dykyj, 1970.; AC |
28.5 | 307. | N/A | Bott and Sadler, 1966 | Based on data from 292. to 345. K.; AC |
30.1 | 264. | N/A | McDonald, Shrader, et al., 1959, 2 | Based on data from 249. to 308. K.; AC |
28.2 | 303. | N/A | Moor, Kanep, et al., 1937 | Based on data from 285. to 322. K.; AC |
32.9 | 273. | N/A | Kireev and Popov, 1935 | Based on data from 243. to 306. K.; AC |
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 |
---|---|---|---|---|---|
292. to 345.0 | 3.55046 | 802.487 | -81.348 | Bott and Sadler, 1966, 2 | Coefficents calculated by NIST from author's data. |
199.70 to 307.38 | 4.09487 | 1065.27 | -46.867 | McDonald, Shrader, et al., 1959, 2 |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
6.5329 | 161.22 | Oetting F.L., 1964 | DH |
6.57 | 161.3 | Domalski and Hearing, 1996 | AC |
6.569 | 161.25 | Beaumont, Clegg, et al., 1966, 2 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
40.52 | 161.22 | Oetting F.L., 1964 | DH |
40.74 | 161.25 | Beaumont, Clegg, et al., 1966, 2 | DH |
IR Spectrum
Go To: Top, Phase change 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
Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty
- gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution - gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm-1 resolution
Mass spectrum (electron ionization)
Go To: Top, Phase change 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
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. |
---|---|
Origin | Japan AIST/NIMC Database - Spectrum MS-NW-785 |
NIST MS number | 229547 |
References
Go To: Top, Phase change 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.
McDonald, Shrader, et al., 1959
McDonald, R.A.; Shrader, S.A.; Stull, D.R.,
Vapor Pressures and Freezing Points of 30 Organics,
J. Chem. Eng. Data, 1959, 4, 311. [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]
Beaumont, Clegg, et al., 1966
Beaumont, R.H.; Clegg, B.; Gee, G.; Herbert, J.B.M.; Marks, D.J.; Roberts, R.C.; Sims, D.,
Heat Capacities of Propylene Oxide and of Some Polymers of Ethylene and Propylene Oxides,
Polymer, 1966, 7, 401. [all data]
Oetting, 1964
Oetting, F.L.,
Low temperature heat capacity and related thermodynamic functions of propylene oxide,
J. Chem. Phys., 1964, 41, 149-53. [all data]
Rutenberg and Shakhova, 1973
Rutenberg, O.L.; Shakhova, S.F.,
The p-v-t relation on the boundary curve for epoxypropane,
Russ. J. Phys. Chem. (Engl. Transl.), 1973, 47, 124-5. [all data]
Kobe, Ravicz, et al., 1956
Kobe, K.A.; Ravicz, A.E.; Vohra, S.P.,
Critical Properties and Vapor Pressures of Some Ethers and Heterocyclic Compounds,
J. Chem. Eng. Data, 1956, 1, 50. [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]
Sinke and Hildenbrand, 1962
Sinke, G.C.; Hildenbrand, D.L.,
Heat of formation of propylene oxide,
J. Chem. Eng. Data, 1962, 7, 74. [all data]
Sinke and Hildenbrand, 1962, 2
Sinke, G.C.; Hildenbrand, D.L.,
Heat of Formation of Propylene Oxide.,
J. Chem. Eng. Data, 1962, 7, 1, 74-74, https://doi.org/10.1021/je60012a022
. [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]
Dykyj, 1970
Dykyj, J.,
Petrochemica, 1970, 10, 2, 51. [all data]
Bott and Sadler, 1966
Bott, T.R.; Sadler, H.N.,
Vapor Pressure of Propylene Oxide.,
J. Chem. Eng. Data, 1966, 11, 1, 25-25, https://doi.org/10.1021/je60028a005
. [all data]
McDonald, Shrader, et al., 1959, 2
McDonald, R.A.; Shrader, S.A.; Stull, D.R.,
Vapor Pressures and Freezing Points of Thirty Pure Organic Compounds.,
J. Chem. Eng. Data, 1959, 4, 4, 311-313, https://doi.org/10.1021/je60004a009
. [all data]
Moor, Kanep, et al., 1937
Moor, V.G.; Kanep, E.K.; Dobkin, I.E.,
Trans. Exptl. Research Lab. Khemgas, Materials on Cracking and Chemical Treatment of Cracking Products U.S.S.R., 1937, 3, 320. [all data]
Kireev and Popov, 1935
Kireev, V.A.; Popov, A.A.,
Russ. J. Gen. Chem., 1935, 5, 1399. [all data]
Bott and Sadler, 1966, 2
Bott, T.R.; Sadler, H.N.,
Vapor Pressure of Propylene Oxide,
J. Chem. Eng. Data, 1966, 11, 1, 25-30, https://doi.org/10.1021/je60028a005
. [all data]
Oetting F.L., 1964
Oetting F.L.,
Low-temperature heat capacity and related thermodynamic functions of propylene oxide,
J. Chem. Phys., 1964, 41, 149-153. [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]
Beaumont, Clegg, et al., 1966, 2
Beaumont, R.H.; Clegg, B.; Gee, G.; Herbert, J.B.M.; Marks, D.J.; Roberts, R.C.; Sims, D.,
Heat capacities of propylene oxide and of some polymers of ethylene and propylene oxides,
Polymer, 1966, 7, 401-416. [all data]
Notes
Go To: Top, Phase change data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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