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Ethylene oxide

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Gas phase 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity Value Units Method Reference Comment
Deltafgas-52.64kJ/molReviewChase, 1998Data last reviewed in September, 1965
Deltafgas-52.63 ± 0.63kJ/molCmPell and Pilcher, 1965ALS
Deltafgas-70.2kJ/molN/AMoureu and Dode, 1937Value computed using «DELTA»fHliquid° value of -95.7±1.3 kj/mol from Moureu and Dode, 1937 and «DELTA»vapH° value of 25.51 kj/mol from missing citation.; DRB
Quantity Value Units Method Reference Comment
Deltacgas-1306.0 ± 0.59kJ/molCmPell and Pilcher, 1965Corresponding «DELTA»fgas = -52.63 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Deltacgas-1307.7 ± 0.84kJ/molCcbCrog and Hunt, 1942Corresponding «DELTA»fgas = -50.96 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
gas,1 bar243.00J/mol*KReviewChase, 1998Data last reviewed in September, 1965

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
33.2650.Dorofeeva O.V., 1992p=1 bar. Selected values are in good agreement with other statistically calculated values [ Godnev I., 1948, Gunthard H., 1948, Kobe K.A., 1950, Sundaram S., 1963, Ramasamy R., 1978, Chao J., 1986].; GT
33.28100.
33.82150.
36.19200.
43.71273.15
47.0 ± 1.0298.15
47.29300.
61.66400.
74.89500.
85.97600.
95.14700.
102.81800.
109.32900.
114.891000.
119.671100.
123.791200.
127.361300.
130.451400.
133.141500.

Constant pressure heat capacity of gas

Cp,gas (J/mol*K) Temperature (K) Reference Comment
49.37307.18Kistiakowsky G.B., 1940GT
53.51337.04
58.41371.23

Gas Phase Heat Capacity (Shomate Equation)

Cp° = A + B*t + C*t2 + D*t3 + E/t2
H° − H°298.15= A*t + B*t2/2 + C*t3/3 + D*t4/4 − E/t + F − H
S° = A*ln(t) + B*t + C*t2/2 + D*t3/3 − E/(2*t2) + G
    Cp = heat capacity (J/mol*K)
    H° = standard enthalpy (kJ/mol)
    S° = standard entropy (J/mol*K)
    t = temperature (K) / 1000.

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Temperature (K) 298. - 1200.1200. - 6000.
A -23.25802131.3483
B 275.699713.80594
C -188.9729-2.645062
D 51.033500.175820
E 0.386930-30.03639
F -55.09156-158.3795
G 142.7777313.4276
H -52.63514-52.63514
ReferenceChase, 1998Chase, 1998
Comment Data last reviewed in September, 1965 Data last reviewed in September, 1965

Condensed phase 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 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
Deltafliquid-95.7 ± 1.3kJ/molCcbMoureu and Dode, 1937Reanalyzed by Cox and Pilcher, 1970, Original value = -95.4 kJ/mol; ALS
Quantity Value Units Method Reference Comment
Deltacliquid-1262.9 ± 1.3kJ/molCcbMoureu and Dode, 1937Reanalyzed by Cox and Pilcher, 1970, Original value = -1264. kJ/mol; Corresponding «DELTA»fliquid = -95.73 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity Value Units Method Reference Comment
liquid149.45J/mol*KN/AGiauque and Gordon, 1949DH

Constant pressure heat capacity of liquid

Cp,liquid (J/mol*K) Temperature (K) Reference Comment
86.90285.Giauque and Gordon, 1949T = 15 to 283 K.; DH

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, Kenneth Kroenlein director
AC - William E. Acree, Jr., James S. Chickos
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil285. ± 2.KAVGN/AAverage of 6 values; Individual data points
Quantity Value Units Method Reference Comment
Tfus160.55KN/AAnonymous, 1968TRC
Tfus160.6KN/AMcDonald, Shrader, et al., 1959Uncertainty assigned by TRC = 0.07 K; TRC
Tfus161.45KN/ATimmermans and Hennaut-Roland, 1937Uncertainty assigned by TRC = 0.4 K; TRC
Tfus161.9KN/AMaass and Boomer, 1922Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Ttriple160.65KN/AWilhoit, Chao, et al., 1985Uncertainty assigned by TRC = 0.05 K; TRC
Ttriple160.65KN/AGiauque and Gordon, 1949, 2Uncertainty assigned by TRC = 0.02 K; TRC
Quantity Value Units Method Reference Comment
Tc468.9KN/AWalters and Smith, 1952Uncertainty assigned by TRC = 1.11 K; TRC
Tc469.0KN/AHess and Tilton, 1950Uncertainty assigned by TRC = 1. K; TRC
Tc465.2KN/AMaass and Boomer, 1922Uncertainty assigned by TRC = 2. K; TRC
Quantity Value Units Method Reference Comment
Pc72.33barN/AWalters and Smith, 1952Uncertainty assigned by TRC = 0.6894 bar; TRC
Pc71.91barN/AHess and Tilton, 1950Uncertainty assigned by TRC = 0.7584 bar; TRC
Quantity Value Units Method Reference Comment
rhoc7.13mol/lN/AWalters and Smith, 1952Uncertainty assigned by TRC = 0.23 mol/l; TRC
rhoc7.26mol/lN/APost, 1950Uncertainty assigned by TRC = 0.23 mol/l; TRC
Quantity Value Units Method Reference Comment
Deltavap25.51kJ/molN/AMajer and Svoboda, 1985 
Deltavap25.9kJ/molAStephenson and Malanowski, 1987Based on data from 283. - 385. K.; AC

Enthalpy of vaporization

DeltavapH (kJ/mol) Temperature (K) Method Reference Comment
25.527283.66N/AGiauque and Gordon, 1949P = 101.325 kPa; DH
25.54283.7N/AMajer and Svoboda, 1985 
26.8269.AStephenson and Malanowski, 1987Based on data from 239. - 284. K. See also McDonald, Shrader, et al., 1959, 2 and Dykyj, 1970.; AC
26.8269.AStephenson and Malanowski, 1987Based on data from 223. - 284. K. See also Giauque and Gordon, 1949.; AC
25.5 ± 0.3283.66VGiauque and Gordon, 1949, 3ALS
26.9290.N/AMoor, Kanep, et al., 1937Based on data from 268. - 313. K.; AC

Entropy of vaporization

DeltavapS (J/mol*K) Temperature (K) Reference Comment
89.99283.66Giauque and Gordon, 1949P; DH

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
182.59 - 283.594.3861115.1-29.015McDonald, Shrader, et al., 1959, 2 
273.4 - 304.95.846962022.8362.656Coles and Popper, 1950Coefficents calculated by NIST from author's data.

Enthalpy of fusion

DeltafusH (kJ/mol) Temperature (K) Reference Comment
5.1731160.65Giauque and Gordon, 1949DH
5.17160.7Domalski and Hearing, 1996AC

Entropy of fusion

DeltafusS (J/mol*K) Temperature (K) Reference Comment
32.20160.65Giauque and Gordon, 1949DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


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

Ethanol, 2,2'-(dodecylimino)bis- = 1-Dodecanamine + 2Ethylene oxide

By formula: C16H35NO2 = C12H27N + 2C2H4O

Quantity Value Units Method Reference Comment
Deltar-1004. ± 27.kJ/molEqkBalcerowiak, Jerzykiewicz, et al., 1984solid phase

2-(dodecylamino)ethanol = 1-Dodecanamine + Ethylene oxide

By formula: C14H31NO = C12H27N + C2H4O

Quantity Value Units Method Reference Comment
Deltar-120.0 ± 4.6kJ/molEqkBalcerowiak, Jerzykiewicz, et al., 1984liquid phase

Gas phase ion energetics 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C2H4O+ (ion structure unspecified)

Quantity Value Units Method Reference Comment
IE (evaluated)10.56 ± 0.01eVN/AN/AL
Quantity Value Units Method Reference Comment
Proton affinity (review)774.2kJ/molN/AHunter and Lias, 1998HL
Quantity Value Units Method Reference Comment
Gas basicity745.3kJ/molN/AHunter and Lias, 1998HL

Ionization energy determinations

IE (eV) Method Reference Comment
10.15 ± 0.05EIHolmes and Lossing, 1991LL
10.4 ± 0.1PEAue, Webb, et al., 1980LLK
10.4PEAue and Bowers, 1979LLK
10.57EIHolmes, Terlouw, et al., 1976LLK
10.6 ± 0.1PICorderman, LeBreton, et al., 1976LLK
10.560PECorderman, LeBreton, et al., 1976LLK
10.56 ± 0.01PIKrassig, Reinke, et al., 1974LLK
10.57PEBasch, Robin, et al., 1969RDSH
10.566SLowrey and Watanabe, 1958RDSH
10.57 ± 0.01PIWatanabe, 1957RDSH
10.57EIVorob'ev, Furlei, et al., 1989Vertical value; LL
10.57PIPECOJohnson, Powis, et al., 1982Vertical value; LBLHLM
10.57PEBieri, Asbrink, et al., 1982Vertical value; LBLHLM
10.57PEKimura, Katsumata, et al., 1981Vertical value; LLK
10.568PEAue, Webb, et al., 1975Vertical value; LLK

Appearance energy determinations

Ion AE (eV) Other Products MethodReferenceComment
CH+22.8 ± 0.4?EIGallegos and Kiser, 1961RDSH
CHO+11.54 ± 0.03CH3PIKrassig, Reinke, et al., 1974LLK
CHO+12.2 ± 0.1CH3EIGallegos and Kiser, 1961RDSH
CH2+14.66 ± 0.09?PIKrassig, Reinke, et al., 1974LLK
CH2+16.5 ± 0.4?EIGallegos and Kiser, 1961RDSH
CH3+13.06 ± 0.05CO+HPIKrassig, Reinke, et al., 1974LLK
CH3+14.3 ± 0.2?EIGallegos and Kiser, 1961RDSH
CH4+11.79 ± 0.03COPIKrassig, Reinke, et al., 1974LLK
CH4+12.3 ± 0.2COEIGallegos and Kiser, 1961RDSH
CO+12.6 ± 0.4CH4EIGallegos and Kiser, 1961RDSH
C2H+24.0 ± 0.3?EIGallegos and Kiser, 1961RDSH
C2H2+15.7 ± 0.3H2O?EIGallegos and Kiser, 1961RDSH
C2H2O+13.07 ± 0.05H2?PIKrassig, Reinke, et al., 1974LLK
C2H2O+14.0 ± 0.32H?EIGallegos and Kiser, 1961RDSH
C2H3+12.92 ± 0.08OHPIKrassig, Reinke, et al., 1974LLK
C2H3+14.3 ± 0.2OHEIGallegos and Kiser, 1961RDSH
C2H3O+11.53 ± 0.05HEIBurgers and Holmes, 1982LBLHLM
C2H3O+11.62 ± 0.05HPIKrassig, Reinke, et al., 1974LLK
C2H3O+12.1 ± 0.2HEIGallegos and Kiser, 1961RDSH

IR Spectrum

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Data compiled by: Coblentz Society, Inc.

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty


Mass spectrum (electron ionization)

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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

Spectrum

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Mass spectrum
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Additional Data

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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 18867

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UV/Visible spectrum

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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: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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UVVis spectrum
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Additional Data

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Source Fleming, et al., 1959
Owner INEP CP RAS, NIST OSRD
Collection (C) 2007 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
Origin INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference RAS UV No. 12873
Instrument n.i.g.
Melting point - 111.7
Boiling point 10.6

Vibrational and/or electronic energy levels

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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: Takehiko Shimanouchi

Symmetry:   C2nu     Symmetry Number sigma = 2


 Sym.   No   Approximate   Selected Freq.  Infrared   Raman   Comments 
 Species   type of mode   Value   Rating   Value  Phase  Value  Phase

a1 1 CH2 s-str 3006  C 3006 S gas 3005 S p liq.
a1 2 CH2 scis 1498  B 1498 W gas 1490 W p liq.
a1 3 Ring str 1271  B 1271 S gas 1266 S p liq.
a1 4 CH2 wag 1120  D 1118 W solid solid 1120 M p liq.
a1 5 Ring deform 877  B 877 VS gas 867 M dp liq.
a2 6 CH2 a-str 3063  D  ia 3063 W dp liq. OV(«nu»13)
a2 7 CH2 twist 1300  E  ia
a2 8 CH2 rock 860  E  ia
b1 9 CH2 s-str 3006  C 3006 S gas 3005 S p liq. OV(«nu»1)
b1 10 CH2 scis 1472  B 1472 W gas
b1 11 CH2 wag 1151  D 1151 M gas 1150 W dp liq.
b1 12 Ring deform 892  D 892 VS gas
b2 13 CH2 a-str 3065  B 3065 S gas 3063 W dp liq.
b2 14 CH2 twist 1142  D 1142 M gas 1150 W dp liq.
b2 15 CH2 rock 822  B 822 M gas 807 M dp liq.

Source: Shimanouchi, 1972

Notes

VSVery strong
SStrong
MMedium
WWeak
iaInactive
pPolarized
dpDepolarized
OVOverlapped by band indicated in parentheses.
B1~3 cm-1 uncertainty
C3~6 cm-1 uncertainty
D6~15 cm-1 uncertainty
E15~30 cm-1 uncertainty

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

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Column type Active phase Temperature (C) I Reference Comment
PackedApiezon L120.397.Bogoslovsky, Anvaer, et al., 1978Celite 545
PackedApiezon L160.410.Bogoslovsky, Anvaer, et al., 1978Celite 545

Normal alkane RI, non-polar column, temperature ramp

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Column type Active phase I Reference Comment
CapillaryOV-101417.Zenkevich, 200525. m/0.20 mm/0.10 «mu»m, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type Active phase I Reference Comment
CapillaryMethyl Silicone417.Farkas, Héberger, et al., 2004Program: not specified
CapillarySPB-1405.Flanagan, Streete, et al., 199760. m/0.53 mm/5. «mu»m, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
CapillarySPB-1405.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
CapillarySPB-1400.Strete, Ruprah, et al., 199260. m/0.53 mm/5.0 «mu»m, Helium; Program: not specified
CapillaryOV-1400.Ramsey and Flanagan, 1982Program: not specified

Normal alkane RI, polar column, custom temperature program

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Column type Active phase I Reference Comment
CapillaryCarbowax 20M680.Ramsey and Flanagan, 1982Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Vibrational and/or electronic energy levels, Gas Chromatography, NIST Free Links, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Chase, 1998
Chase, M.W., Jr., NIST-JANAF Themochemical Tables, Fourth Edition, J. Phys. Chem. Ref. Data, Monograph 9, 1998, 1-1951. [all data]

Pell and Pilcher, 1965
Pell, A.S.; Pilcher, G., Measurements of heats of combustion by flame calorimetry. Part 3.-Ethylene oxide, trimethylene oxide, tetrahydrofuran and tetrahydropy, Trans. Faraday Soc., 1965, 61, 71-77. [all data]

Moureu and Dode, 1937
Moureu, H.; Dode, M., Chaleurs de formation de l'oxyde d'ethylene, de l'ethanediol et de quelques homologues, Bull. Soc. Chim. France, 1937, 4, 637-647. [all data]

Crog and Hunt, 1942
Crog, R.S.; Hunt, H., Heats of combustion. II. The heats of combustion of ethyl methyl ketone and ethylene oxide, J. Phys. Chem., 1942, 46, 1162-1163. [all data]

Dorofeeva O.V., 1992
Dorofeeva O.V., Ideal gas thermodynamic properties of oxygen heterocyclic compounds. Part 1. Three-membered, four-membered and five-membered rings, Thermochim. Acta, 1992, 194, 9-46. [all data]

Godnev I., 1948
Godnev I., Thermodynamic functions of ethylene oxide, Zh. Fiz. Khim., 1948, 22, 801-803. [all data]

Gunthard H., 1948
Gunthard H., Thermodynamic properties of ethylene oxide, Helv. Chim. Acta, 1948, 31, 2128-2132. [all data]

Kobe K.A., 1950
Kobe K.A., Thermochemistry for the petrochemical industry. XIII. Some oxygenated hydrocarbons C1 and C2, Petrol. Refiner, 1950, 29 (9), 135-138. [all data]

Sundaram S., 1963
Sundaram S., Thermodynamic functions of some propellants, Z. Phys. Chem. (Frankfurt), 1963, 36, 376-377. [all data]

Ramasamy R., 1978
Ramasamy R., Centrifugal distortion constants and thermodynamic functions of ethylene oxide, ethylene oxide-d4, and ethylene sulfide, Curr. Sci., 1978, 47, 668-669. [all data]

Chao J., 1986
Chao J., Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties, J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]

Kistiakowsky G.B., 1940
Kistiakowsky G.B., Gaseous heat capacities. III, J. Chem. Phys., 1940, 8, 618-622. [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]

Giauque and Gordon, 1949
Giauque, W.F.; Gordon, J., The entropy of ethylene oxide. Heat capacity from 14 to 285K. Vapor pressure. Heats of fusion and vaporization, J. Am. Chem. Soc., 1949, 71, 2176-2181. [all data]

Anonymous, 1968
Anonymous, X., Chemicals and Plastics Physical Properties, 1968, Union Carbide Corp., product bulletin, 1968. [all data]

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]

Timmermans and Hennaut-Roland, 1937
Timmermans, J.; Hennaut-Roland, M., Works from International Bureau at Physical-Chemical Standards. VIII. Physical constants of 20 organic compounds, J. Chim. Phys. Phys.-Chim. Biol., 1937, 34, 693. [all data]

Maass and Boomer, 1922
Maass, O.; Boomer, E.H., Vapor densities at low pressures and over an extended temperature range: I the properties of ethylene oxide compared to oxygen compounds of similar molecular weight, J. Am. Chem. Soc., 1922, 44, 1709-1728. [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]

Giauque and Gordon, 1949, 2
Giauque, W.F.; Gordon, J., The entropy of ethylene oxide heat capacity from 14 to 285c vapor pressure heats of fusion and vaporization, J. Am. Chem. Soc., 1949, 71, 2176. [all data]

Walters and Smith, 1952
Walters, C.J.; Smith, J.M., Volumetric Behaviour and Thermodynamic Properties of Ethylene Oxide, Chem. Eng. Prog., 1952, 48, 337. [all data]

Hess and Tilton, 1950
Hess, L.G.; Tilton, V.V., Ethylene Oxide - Hazards and Methods of Handling., Ind. Eng. Chem., 1950, 42, 1251-8. [all data]

Post, 1950
Post, R.G., , Unpublished Rep., Chem. Eng. No. 362, 1950. [all data]

Majer and Svoboda, 1985
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Notes

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