1,2-Ethanediol
- Formula: C2H6O2
- Molecular weight: 62.0678
- IUPAC Standard InChIKey: LYCAIKOWRPUZTN-UHFFFAOYSA-N
- CAS Registry Number: 107-21-1
- 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. - Species with the same structure:
- Other names: Ethylene glycol; Ethylene alcohol; Glycol; Glycol alcohol; Lutrol 9; Macrogol 400 BPC; Monoethylene glycol; Ramp; Tescol; 1,2-Dihydroxyethane; 2-Hydroxyethanol; HOCH2CH2OH; Aethylenglykol; Ethane-1,2-diol; Fridex; MEG 100; 1,2-Ethandiol; Ucar 17; Dowtherm SR 1; Norkool; Zerex; Ilexan E; 1,2-Ethylene glycol; 146AR; Ethylene dihydrate; NSC 93876; Union Carbide XL 54 Type I De-icing Fluid; Dihydroxyethane; Ethanediol; Ethylene gycol; Glygen; Athylenglykol; M.e.g.; Aliphatic diol
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
- NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
- NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -94.26 ± 0.67 | kcal/mol | Ccr | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989; ALS |
ΔfH°gas | -92.7 ± 0.4 | kcal/mol | Ccb | Gardner and Hussain, 1972 | ALS |
ΔfH°gas | -93.28 | kcal/mol | N/A | McClaine, 1947 | Value computed using ΔfHliquid° value of -455.9 kj/mol from McClaine, 1947 and ΔvapH° value of 65.6 kj/mol from Knauth and Sabbah, 1990.; DRB |
ΔfH°gas | -93.04 | kcal/mol | N/A | Parks, West, et al., 1946 | Value computed using ΔfHliquid° value of -454.9±0.3 kj/mol from Parks, West, et al., 1946 and ΔvapH° value of 65.6 kj/mol from Knauth and Sabbah, 1990.; DRB |
ΔfH°gas | -92.61 | kcal/mol | N/A | Moureu and Dode, 1937 | Value computed using ΔfHliquid° value of -453.1±1.2 kj/mol from Moureu and Dode, 1937 and ΔvapH° value of 65.6 kj/mol from Knauth and Sabbah, 1990.; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 74.532 | cal/mol*K | N/A | Chao J., 1986 | Other third-law entropy values at 298.15 K known from literature are 284.5 [ Buckley P., 1967], 312.5 [ Stull D.R., 1969], and 315.47(5.36) J/mol*K [ Yeh T.-S., 1994].; GT |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
14.29 | 200. | Yeh T.-S., 1994 | Other statistically calculated values of entropy at 298.15 K (274.76 [ Buckley P., 1967], 293.76 [ Frei H., 1977], 303.8 [ Chao J., 1986], and 323.55 J/mol*K [ Dyatkina M.E., 1954]) are in worse agreement with third-law entropy value.; GT |
18.64 | 298.15 | ||
18.74 | 300. | ||
23.42 | 400. | ||
27.161 | 500. | ||
30.031 | 600. | ||
32.321 | 700. | ||
34.240 | 800. | ||
35.911 | 900. | ||
37.380 | 1000. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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 |
---|---|---|---|---|---|
ΔfH°liquid | -109.9 ± 0.67 | kcal/mol | Ccr | Knauth and Sabbah, 1990 | see Knauth and Sabbah, 1989; ALS |
ΔfH°liquid | -108.9 ± 0.2 | kcal/mol | Ccb | Gardner and Hussain, 1972 | ALS |
ΔfH°liquid | -108.95 | kcal/mol | Ccb | McClaine, 1947 | ALS |
ΔfH°liquid | -108.73 ± 0.07 | kcal/mol | Ccb | Parks, West, et al., 1946 | ALS |
ΔfH°liquid | -108.30 ± 0.29 | kcal/mol | Ccb | Moureu and Dode, 1937 | Reanalyzed by Cox and Pilcher, 1970, Original value = -108.1 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -285. ± 2. | kcal/mol | AVG | N/A | Average of 7 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 39.89 | cal/mol*K | N/A | Parks, Kelley, et al., 1929 | Extrapolation below 90 K, 8.2 cal/mol*K. Revision of previous data.; DH |
S°liquid | 42.90 | cal/mol*K | N/A | Parks and Kelley, 1925 | Extrapolation below 90 K, 11.46 cal/mol*K.; DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
35.80 | 298. | Zaripov, 1982 | T = 298, 323, 363 K.; DH |
35.68 | 298. | Stephens and Tamplin, 1979 | T = 273 to 493 K.; DH |
35.76 | 298.15 | Murthy and Subrahmanyam, 1977 | DH |
34.70 | 303. | Kawaizumi, Otake, et al., 1972 | DH |
35.99 | 301.2 | Paz Andrade, Paz, et al., 1970 | T = 28, 40°C.; DH |
35.930 | 298.15 | Nikolaev and Rabinovich, 1967 | T = 80 to 300 K.; DH |
35.21 | 298. | Tungusov and Mishchenko, 1965 | DH |
35.581 | 298. | Rabinovich and Nikolaev, 1962 | T = 10 to 55°C.; DH |
34.80 | 293.4 | Neiman and Kurlyankin, 1932 | T = 20.2 to 78.4°C. Value is unsmoothed experimental datum.; DH |
35.71 | 293.0 | Parks and Kelley, 1925 | T = 88 to 293 K. Value is unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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
AC - William E. Acree, Jr., James S. Chickos
DRB - Donald R. Burgess, Jr.
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 |
---|---|---|---|---|---|
Tboil | 470.5 ± 0.5 | K | AVG | N/A | Average of 27 out of 31 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 261. ± 2. | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 256.6 | K | N/A | Knauth and Sabbah, 1990, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
Ttriple | 260.6 | K | N/A | Wilhoit, Chao, et al., 1985 | Uncertainty assigned by TRC = 0.2 K; TRC |
Ttriple | 260.6 | K | N/A | Nikolaev and Rabinovich, 1967, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
Ttriple | 260.8 | K | N/A | Parks and Kelley, 1925, 2 | Uncertainty assigned by TRC = 0.3 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 720. | K | N/A | Nikitin, Pavlov, et al., 1993 | Uncertainty assigned by TRC = 4. K; TRC |
Tc | 720. | K | N/A | Teja and Rosenthal, 1991 | Uncertainty assigned by TRC = 1. K; TRC |
Tc | 718. | K | N/A | Teja and Anselme, 1990 | Uncertainty assigned by TRC = 1. K; TRC |
Tc | 645. | K | N/A | Stephens and Tamplin, 1979, 2 | Uncertainty assigned by TRC = 30. K; TC data from Union Carbide Corp.; TRC |
Tc | 790. | K | N/A | Artemchenko, 1972 | Uncertainty assigned by TRC = 30. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 80.93 | atm | N/A | Nikitin, Pavlov, et al., 1993 | Uncertainty assigned by TRC = 1.97 atm; TRC |
Pc | 88.82 | atm | N/A | Teja and Rosenthal, 1991 | Uncertainty assigned by TRC = 0.987 atm; TRC |
Pc | 129.29 | atm | N/A | Lyons, 1985 | Uncertainty assigned by TRC = 9.869 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 15.6 ± 0.7 | kcal/mol | AVG | N/A | Average of 13 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
14.9 ± 0.96 | 345. | N/A | Petitjean, Reyes-Perez, et al., 2010 | Based on data from 307. to 384. K.; AC |
13.7 | 385. | TGA | Al-Najjar and Al-Sammerrai, 2007 | Based on data from 363. to 408. K.; AC |
15.6 | 338. | A | Stephenson and Malanowski, 1987 | Based on data from 323. to 473. K.; AC |
14.9 | 378. | A | Stephenson and Malanowski, 1987 | Based on data from 363. to 418. K.; AC |
16.2 ± 0.4 | 409. | V | Gardner and Hussain, 1972 | ALS |
15.3 | 338. | N/A | Jones and Tamplin, 1952 | Based on data from 323. to 473. K. See also Gardner and Hussain, 1972.; AC |
14.8 ± 1.5 | 273. | V | Gallaugher and Hibbert, 1937 | Reanalyzed by Pedley, Naylor, et al., 1986, Original value = 13.64 kcal/mol; ALS |
14.6 | 383. | N/A | Schierholtz and Staples, 1935 | Based on data from 363. to 403. K.; AC |
13.7 | 436. | N/A | Schierholtz and Staples, 1935 | Based on data from 403. to 470. K.; AC |
14.6 | 410. | N/A | de Forcrand, 1901 | Based on data from 395. to 459. K.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
323. to 473. | 4.96441 | 1914.951 | -84.996 | Jones and Tamplin, 1952, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.380 | 260.6 | Nikolaev and Rabinovich, 1967 | DH |
2.7780 | 260.8 | Parks and Kelley, 1925 | DH |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.132 | 260.6 | Nikolaev and Rabinovich, 1967 | DH |
10.65 | 260.8 | Parks and Kelley, 1925 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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: (Cl- • C2H6O2) + C2H6O2 = (Cl- • 2C2H6O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.9 ± 1.2 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 9.3 ± 1.0 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
By formula: Cl- + C2H6O2 = (Cl- • C2H6O2)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 25.3 ± 1.0 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 16.6 ± 1.0 | kcal/mol | TDAs | Zhang, Beglinger, et al., 1995 | gas phase; B |
C2H5O2- + =
By formula: C2H5O2- + H+ = C2H6O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 365.1 ± 2.5 | kcal/mol | G+TS | Crowder and Bartmess, 1993 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 360.9 ± 2.0 | kcal/mol | IMRE | Crowder and Bartmess, 1993 | gas phase; B |
By formula: C2H6O2 + C3H6O = C5H10O2 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.4 | kcal/mol | Eqk | Anteunis and Rommelaere, 1970 | liquid phase; ALS |
By formula: C2H6O2 + HNO3 = C2H5NO4 + H2O
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -1.9 | kcal/mol | Cm | Tsvetkov, Sopin, et al., 1986 | liquid phase; ALS |
+ = C2H6NO3-
By formula: NO- + C2H6O2 = C2H6NO3-
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 27.00 | kcal/mol | N/A | Hendricks, de Clercq, et al., 2002 | gas phase; B |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
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
Data compiled as indicated in comments:
B - John E. Bartmess
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
View reactions leading to C2H6O2+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Proton affinity (review) | 195.0 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 184.9 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
10.16 | EI | Holmes and Lossing, 1982 | LBLHLM |
10.55 | PE | Ohno, Imai, et al., 1985 | Vertical value; LBLHLM |
10.55 | PE | Kimura, Katsumata, et al., 1981 | Vertical value; LLK |
10.5 | PE | Von Niessen, Bieri, et al., 1980 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
CH3O+ | 11.12 ± 0.05 | CH2OH | EI | Holmes and Lossing, 1984 | LBLHLM |
CH3O+ | 12.5 ± 0.15 | CH2O+H | EI | Holmes, Lossing, et al., 1983 | LBLHLM |
CH4O+[CH2OH2+] | 11.42 ± 0.05 | CH2O | EI | Holmes, Lossing, et al., 1982 | LBLHLM |
CH5O+[CH3OH2+] | 10.7 ± 0.1 | CHO | EI | Burgers, Holmes, et al., 1987 | LBLHLM |
De-protonation reactions
C2H5O2- + =
By formula: C2H5O2- + H+ = C2H6O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 365.1 ± 2.5 | kcal/mol | G+TS | Crowder and Bartmess, 1993 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 360.9 ± 2.0 | kcal/mol | IMRE | Crowder and Bartmess, 1993 | gas phase; B |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, 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. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
NIST MS number | 341866 |
Gas Chromatography
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), 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
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SE-30 | 150. | 705. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
Packed | Apiezon L | 160. | 659. | Bogoslovsky, Anvaer, et al., 1978 | Celite 545 |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | PEG-2000 | 179. | 1695. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 180. | 1652. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 200. | 1667. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Packed | PEG-2000 | 200. | 1670. | Anderson, Jurel, et al., 1973 | He, Celite 545 (44-60 mesh); Column length: 3. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Ultra-2 | 702. | Poskrobko, Linkiewicz, et al., 1994 | 25. m/0.32 mm/0.52 μm, H2, 8. K/min; Tstart: 50. C; Tend: 310. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1621. | Shimoda, Shigematsu, et al., 1995 | 60. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 1635. | Shiratsuchi, Shimoda, et al., 1994 | 60. m/0.25 mm/0.25 μm, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Capillary | DB-Wax | 1635. | Shiratsuchi, Shimoda, et al., 1994, 2 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | VF-5 MS | 710. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | VF-5 MS | 712. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | OV-101 | 726. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxanes | 726. | Zenkevich, 2001 | Program: not specified |
Capillary | SPB-1 | 670. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | SPB-1 | 670. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
Capillary | SPB-1 | 672. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1660. | Shimadzu, 2012 | 30. m/0.32 mm/0.50 μm, Helium, 4. K/min; Tstart: 40. C; Tend: 260. C |
Capillary | DB-Wax | 1660. | Shimadzu Corporation, 2003 | 30. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 260. C |
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), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Knauth and Sabbah, 1990
Knauth, P.; Sabbah, R.,
Energetics of intra- and intermolecular bonds in ω-alkanediols (II) Thermochemical study of 1,2-ethanediol, 1,3-propanediol, 1,4-butanediol, and 1,5-pentanediol at 298.15K,
Struct. Chem., 1990, 1, 43-46. [all data]
Knauth and Sabbah, 1989
Knauth, P.; Sabbah, R.,
Combustion calorimetry on milligram samples of liquid substances with a CRMT rocking bomb calorimeter. Application to the study of ω-alkanediol at 298.15 K,
J. Chem. Thermodyn., 1989, 21, 203-210. [all data]
Gardner and Hussain, 1972
Gardner, P.J.; Hussain, K.S.,
The standard enthalpies of formation of some aliphatic diols,
J. Chem. Thermodyn., 1972, 4, 819-827. [all data]
McClaine, 1947
McClaine, L.A.,
Thermodynamic data for some compounds containing carbon, hydrogen and oxygen, Ph.D. Thesis for Stanford University, 1947, 1-57. [all data]
Parks, West, et al., 1946
Parks, G.S.; West, T.J.; Naylor, B.F.; Fujii, P.S.; McClaine, L.A.,
Thermal data on organic compounds. XXIII. Modern combustion data for fourteen hydrocarbons and five polyhydroxy alcohols,
J. Am. Chem. Soc., 1946, 68, 2524-2527. [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]
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]
Buckley P., 1967
Buckley P.,
Infrared studies on rotational isomerism. I. Ethylene glycol,
Can. J. Chem., 1967, 45, 397-407. [all data]
Stull D.R., 1969
Stull D.R., Jr.,
The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [all data]
Yeh T.-S., 1994
Yeh T.-S.,
Global conformational analysis of 1,2-ethanediol,
J. Phys. Chem., 1994, 98, 8921-8929. [all data]
Frei H., 1977
Frei H.,
Ethylene glycol: infrared spectra, ab initio calculation, vibrational analysis and conformations of 5 matrix isolated isotopic modifications,
Chem. Phys., 1977, 25, 271-298. [all data]
Dyatkina M.E., 1954
Dyatkina M.E.,
Thermodynamic functions of normal alcohols (propanol, butanol, ethylene glycol),
Zh. Fiz. Khim., 1954, 28, 377. [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]
Parks, Kelley, et al., 1929
Parks, G.S.; Kelley, K.K.; Huffman, H.M.,
Thermal data on organic compounds. V. A revision of the entropies and free energies of nineteen organic compounds,
J. Am. Chem. Soc., 1929, 51, 1969-1973. [all data]
Parks and Kelley, 1925
Parks, G.S.; Kelley, K.K.,
Thermal data on organic compounds. II. The heat capacities of five organic compounds. The entropies and free energies of some homologous series of aliphatic compounds,
J. Am. Chem. Soc., 1925, 47, 2089-2097. [all data]
Zaripov, 1982
Zaripov, Z.I.,
Experimental study of the isobaric heat capacity of liquid organic compounds with molecular weights of up to 4000 a.e.m., 1982, Teplomassoobmen Teplofiz. [all data]
Stephens and Tamplin, 1979
Stephens, M.A.; Tamplin, W.S.,
Saturated liquid specific heats of ethylene glycol homologues,
J. Chem. Eng. Data, 1979, 24, 81-82. [all data]
Murthy and Subrahmanyam, 1977
Murthy, N.M.; Subrahmanyam, S.V.,
Behaviour of excess heat capacity of aqueous non-electrolytes,
Indian J. Pure Appl. Phys., 1977, 15, 485-489. [all data]
Kawaizumi, Otake, et al., 1972
Kawaizumi, F.; Otake, T.; Nomura, H.; Miyahara, Y.,
Heat capacities of aqueous solutions of ethylene glycol, propylene glycol and 1,3-butanediol,
Nippon Kagaku. Kaishi, 1972, 1972, 1733-1776. [all data]
Paz Andrade, Paz, et al., 1970
Paz Andrade, M.I.; Paz, J.M.; Recacho, E.,
Contribucion a la microcalorimetria de los calores especificos de solidos y liquidos,
An. Quim., 1970, 66, 961-967. [all data]
Nikolaev and Rabinovich, 1967
Nikolaev, P.N.; Rabinovich, I.B.,
Heat capacity of ethylene glycol and ethylene deuteroglycol in the temperature range 80-300K,
Zhur. Fiz. Khim., 1967, 41, 2191-2194. [all data]
Tungusov and Mishchenko, 1965
Tungusov, V.P.; Mishchenko, K.P.,
Specific heat of pure ethylene glycol and solution of NaI and KI in ethylene glycol at 25°C,
Zhur. Fiz. Khim., 1965, 39, 2968-2972. [all data]
Rabinovich and Nikolaev, 1962
Rabinovich, I.B.; Nikolaev, P.N.,
Isotopic effect in the specific heat of some deutero compounds,
Dokl. Akad. Nauk, 1962, SSSR 142, 1335-1338. [all data]
Neiman and Kurlyankin, 1932
Neiman, M.B.; Kurlyankin, I.A.,
Thermodynamic studies of solutions. II. Study of the thermodynamics of aqueous solutions of ethylene glycol at different temperatures,
Zhur. Obshch. Khim., 1932, 2, 318-321. [all data]
Knauth and Sabbah, 1990, 2
Knauth, P.; Sabbah, R.,
Can. J. Chem., 1990, 68, 731. [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]
Nikolaev and Rabinovich, 1967, 2
Nikolaev, P.N.; Rabinovich, I.B.,
Zh. Fiz. Khim., 1967, 41, 9, 2191. [all data]
Parks and Kelley, 1925, 2
Parks, G.S.; Kelley, K.K.,
Thermal Data on Organic Compounds II. The Heat Capacities of Five Organic Compounds. The Entropies and Free Energies of Some Homologous Series of Aliphatic Compounds,
J. Am. Chem. Soc., 1925, 47, 2089-97. [all data]
Nikitin, Pavlov, et al., 1993
Nikitin, E.D.; Pavlov, P.A.; Skripov, P.V.,
Measurement of the critical properties of thermally unstable substances and mixtures by the pulse-heating method,
J. Chem. Thermodyn., 1993, 25, 869-80. [all data]
Teja and Rosenthal, 1991
Teja, A.S.; Rosenthal, D.J.,
The critical pressures and temperatures of ten substances using a low residence time flow apparatus
in Experimental Results for Phase Equilibria and Pure Component Properties, DIPPR DATA Series No. 1, 1991. [all data]
Teja and Anselme, 1990
Teja, A.S.; Anselme, M.J.,
The critical properties of thermally stable and unstable fluids. I. 1985 results,
AIChE Symp. Ser., 1990, 86, 279, 115-21. [all data]
Stephens and Tamplin, 1979, 2
Stephens, M.A.; Tamplin, W.S.,
Saturated Liquid SPecific Heats of Ethylene GLycol Homologues,
J. Chem. Eng. Data, 1979, 24, 81-2. [all data]
Artemchenko, 1972
Artemchenko, A.I.,
Fiz. Khim. Rastvorov, 1972, 1972, 128-34. [all data]
Lyons, 1985
Lyons, R.L.,
The determination of critical properties and vapor pressure of thermally stable and unstable compounds, M. S. Thesis, 1985. [all data]
Petitjean, Reyes-Perez, et al., 2010
Petitjean, M.; Reyes-Perez, E.; Perez, D.; Mirabel, Ph.; Le Calve, S.,
Vapor Pressure Measurements of Hydroxyacetaldehyde and Hydroxyacetone in the Temperature Range (273 to 356) K,
J. Chem. Eng. Data, 2010, 55, 2, 852-855, https://doi.org/10.1021/je9004905
. [all data]
Al-Najjar and Al-Sammerrai, 2007
Al-Najjar, Hazim; Al-Sammerrai, Dhoaib,
Thermogravimetric determination of the heat of vaporization of some highly polar solvents,
J. Chem. Technol. Biotechnol., 2007, 37, 3, 145-152, https://doi.org/10.1002/jctb.280370302
. [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]
Jones and Tamplin, 1952
Jones, W.S.; Tamplin, W.S.,
Chapter 9. Physical Properties of Propylene Glycol
in Glycols. American Chemical Society Monograph 114, G.O. Curme, Jr., ed(s)., Reinhold, New York, 1952, 210-240. [all data]
Gallaugher and Hibbert, 1937
Gallaugher, A.F.; Hibbert, H.,
Studies on reactions relating to carbohydrates and polysaccharides. LV. Vapor pressures of the polyethylene glycols and their derivatives,
J. Am. Chem. Soc., 1937, 59, 2521-2525. [all data]
Pedley, Naylor, et al., 1986
Pedley, J.B.; Naylor, R.D.; Kirby, S.P.,
Thermochemical Data of Organic Compounds, Chapman and Hall, New York, 1986, 1-792. [all data]
Schierholtz and Staples, 1935
Schierholtz, O.J.; Staples, M.L.,
Vapor Pressures of Certain Glycols,
J. Am. Chem. Soc., 1935, 57, 12, 2709-2711, https://doi.org/10.1021/ja01315a106
. [all data]
de Forcrand, 1901
de Forcrand, M.,
Compt. Rend., 1901, 132, 688. [all data]
Jones and Tamplin, 1952, 2
Jones, W.S.; Tamplin, W.S.,
Chapter 3. Physical Properties of Ethylene Glycol
in Glycols, George O. Curme, Jr., ed(s)., Reinhold Publishing Corporation, 330 West Forty-Second Street, New York, U.S.A., 1952, 27-62. [all data]
Zhang, Beglinger, et al., 1995
Zhang, W.; Beglinger, C.; Stone, J.A.,
High-pressure mass spectrometric study of the gas-phase association of Cl- with alpha,omega-diols,
J. Phys. Chem., 1995, 99, 30, 11673, https://doi.org/10.1021/j100030a009
. [all data]
Crowder and Bartmess, 1993
Crowder, C.; Bartmess, J.,
The Gas Phase Acidities of Diols,
J. Am. Soc. Mass Spectrom., 1993, 4, 9, 723, https://doi.org/10.1016/1044-0305(93)80051-Y
. [all data]
Anteunis and Rommelaere, 1970
Anteunis, M.; Rommelaere, Y.,
NMR experiments on acetals. XXIX. The ease of acetonide formation of some glycols,
Bull. Soc. Chim. Belg., 1970, 79, 523-530. [all data]
Tsvetkov, Sopin, et al., 1986
Tsvetkov, V.G.; Sopin, V.P.; Tsvetkova, L.Ya.; Marchenko, G.N.,
Enthalpy of reaction of nitric acid with some organic compounds,
J. Gen. Chem. USSR, 1986, 56, 471-474. [all data]
Hendricks, de Clercq, et al., 2002
Hendricks, J.H.; de Clercq, H.L.; Freidhoff, C.B.; Arnold, S.T.; Eaton, J.G.; Fancher, C.; Lyapustina, S.A.; S.,
Anion solvation at the microscopic level: Photoelectron spectroscopy of the solvated anion clusters, NO-(Y)(n), where Y=Ar, Kr, Xe, N2O, H2S, NH3, H2O, and C2H4(OH)(2),
J. Chem. Phys., 2002, 116, 18, 7926-7938, https://doi.org/10.1063/1.1457444
. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Holmes and Lossing, 1982
Holmes, J.L.; Lossing, F.P.,
Towards a general scheme for estimating the heats of formation of organic ions in the gas phase. Part II. The effect of substitution at charge-bearing sites,
Can. J. Chem., 1982, 60, 2365. [all data]
Ohno, Imai, et al., 1985
Ohno, K.; Imai, K.; Harada, Y.,
Variations in reactivity of lone-pair electrons due to intramolecular hydrogen bonding as observed by penning ionization electron spectroscopy,
J. Am. Chem. Soc., 1985, 107, 8078. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Von Niessen, Bieri, et al., 1980
Von Niessen, W.; Bieri, G.; Asbrink, L.,
30.4 nm He(II) photoelectron spectra of organic molecules. Part III. Oxo-compounds (C,H,O),
J. Electron Spectrosc. Relat. Phenom., 1980, 21, 175. [all data]
Holmes and Lossing, 1984
Holmes, J.L.; Lossing, F.P.,
Heats of formation of organic radicals from appearance energies,
Int. J. Mass Spectrom. Ion Processes, 1984, 58, 113. [all data]
Holmes, Lossing, et al., 1983
Holmes, J.L.; Lossing, F.P.; Terlouw, J.K.; Burgers, P.C.,
Novel gas-phase ions. The radical cations [CH2XH]+. (X = F, Cl, Br, I, OH, NH2, SH) and [CH2CH2NH3]+.,
Can. J. Chem., 1983, 61, 2305. [all data]
Holmes, Lossing, et al., 1982
Holmes, J.L.; Lossing, F.P.; Terlouw, J.K.; Burgers, P.C.,
The radical cation [CH2OH2]+ and related stable gas phase ion-dipole complexes,
J. Am. Chem. Soc., 1982, 104, 2931. [all data]
Burgers, Holmes, et al., 1987
Burgers, P.C.; Holmes, J.L.; Hop, C.E.C.A.; Postma, R.; Ruttink, P.J.A.; Terlouw, J.K.,
The isomeric [C2H6O2]+ hydrogen-bridged radical cations [CH2-O(H)...H...O=CH2]+, [CH3-O...H...O=CH2]+, and [CH3-O(H)...H...O=CH]+: Theory and experiment,
J. Am. Chem. Soc., 1987, 109, 7315. [all data]
Tiess, 1984
Tiess, D.,
Gaschromatographische Retentionsindices von 125 leicht- bis mittelflüchtigen organischen Substanzen toxikologisch-analytischer Relevanz auf SE-30,
Wiss. Z. Wilhelm-Pieck-Univ. Rostock Math. Naturwiss. Reihe, 1984, 33, 6-9. [all data]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L.,
Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases,
Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]
Poskrobko, Linkiewicz, et al., 1994
Poskrobko, J.; Linkiewicz, M.; Jaworski, M.,
Analysis of high-boiling ethoxylates of methyl, ethyl and butyl alcohols, with the use of gas chromatography,
Chem. Anal. (Warsaw), 1994, 39, 2, 153-159. [all data]
Shimoda, Shigematsu, et al., 1995
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y.,
Comparison of the odor concentrates by SDE and adsorptive column method from green tea infusion,
J. Agric. Food Chem., 1995, 43, 6, 1616-1620, https://doi.org/10.1021/jf00054a037
. [all data]
Shiratsuchi, Shimoda, et al., 1994
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y.,
Off-flavor compounds in spray-dried skim milk powder,
J. Agric. Food Chem., 1994, 42, 6, 1323-1327, https://doi.org/10.1021/jf00042a014
. [all data]
Shiratsuchi, Shimoda, et al., 1994, 2
Shiratsuchi, H.; Shimoda, M.; Imayoshi, K.; Noda, K.; Osajima, Y.,
Volatile flavor compounds in spray-dried skim milk powder,
J. Agric. Food Chem., 1994, 42, 4, 984-988, https://doi.org/10.1021/jf00040a028
. [all data]
Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
Leffingwell Rep., 2011, 4, 1-17. [all data]
Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
Zenkevich, 2001
Zenkevich, I.G.,
Encyclopedia of Chromatography. Derivatization of Carbonyls for GC Analysis, MArcel Dekker, Inc., New York - Basel, 2001, 233. [all data]
Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D.,
Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technicalseries1997-01-011.pdf. [all data]
Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J.,
Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning,
Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111
. [all data]
Shimadzu, 2012
Shimadzu, Pharmaceutical Related,
Analysis of pharmaceutical residual solvent (observation of separation) (1) - GC, 2012, retrieved from www.shimadzu.ru/applications/Applicationspdf/GC/Pharma/Pharmaceutical residual solvents GC.pdf. [all data]
Shimadzu Corporation, 2003
Shimadzu Corporation,
Analysis of pharmaceutical residual solvent (observation of separation), 2003, retrieved from http://www.shimadzu.com.br/analitica/aplicacoes/book/pharm69.pdf. [all data]
Notes
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), Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas 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 Tfus Fusion (melting) point Ttriple Triple point temperature ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.