1,3-Propanediol, 2-ethyl-2-(hydroxymethyl)-
- Formula: C6H14O3
- Molecular weight: 134.1736
- IUPAC Standard InChIKey: ZJCCRDAZUWHFQH-UHFFFAOYSA-N
- CAS Registry Number: 77-99-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Ethriol; Ethyltrimethylolmethane; Etriol; Ettriol; Hexaglycerine; Propane, 1,1,1-tris(hydroxymethyl)-; Trimethylolpropane; TMP; TMP (Alcohol); 1,1,1-Trimethylolpropane; 1,1,1-Tris(Hydroxymethyl)propane; 2-Ethyl-2-(hydroxymethyl)propanediol; 2,2-Bis(hydroxymethyl)-1-butanol; 2-Ethyl-2-(hydroxymethyl)-1,3-propanediol; Hexaglycerol; Methanol, (propanetriyl)tris-; Tri(hydroxymethyl)propane; 1,1,1-Tri(hydroxymethyl)propane; Tris(hydroxymethyl)propane; Butanol, 2,2-bis(hydroxymethyl)-; NSC 3576; propylidynetrimethanol
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Condensed phase thermochemistry data
Go To: Top, 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 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°solid | -746.4 | kJ/mol | Ccb | Baroody and Carpenter, 1972 | ALS |
ΔfH°solid | -751.0 | kJ/mol | Ccb | Medard and Thomas, 1953 | Heat of combustion corrected for pressure; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -3611. | kJ/mol | Ccb | Medard and Thomas, 1953 | Heat of combustion corrected for pressure; Corresponding ΔfHºsolid = -751.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of solid
Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
213.79 | 301.29 | Zhang and Yang, 1989 | T = 270 to 354 K; value is unsmoothed experimental datum.; DH |
Phase change data
Go To: Top, Condensed phase thermochemistry 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 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Ttriple | 333.40 | K | N/A | Zhang and Yang, 1989, 2 | Uncertainty assigned by TRC = 0.05 K; TRC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
433.2 | 0.003 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
81.4 | 448. | A | Stephenson and Malanowski, 1987 | Based on data from 433. to 570. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
21.450 | 333.40 | N/A | Zhang and Yang, 1989 | DH |
0.9 | 332.7 | DSC | Chandra, Mandalia, et al., 2002 | AC |
21.45 | 333.4 | AC | Zhang and Yang, 1989 | Based on data from 270. to 354. K.; AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
64.3 | 333.40 | Zhang and Yang, 1989 | DH |
References
Go To: Top, Condensed phase thermochemistry data, Phase change data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Baroody and Carpenter, 1972
Baroody, E.E.; Carpenter, G.A.,
Heats of formation of propellant compounds (U), Rpt. Naval Ordnance Systems Command Task No. 331-003/067-1/UR2402-001 for Naval Ordance Station, Indian Head, MD, 1972, 1-9. [all data]
Medard and Thomas, 1953
Medard, L.; Thomas, M.,
Determination des chaleurs de combustion de treize substances explosives ou apparentees a des explosifs,
Mem. Poudres, 1953, 35, 155-173. [all data]
Zhang and Yang, 1989
Zhang, Z.Y.; Yang, M.L.,
Heat capacities and phase transitions of 1,1,1-trihydroxymethylpropane and pentaerythritol over the superambient temperature range,
Themochim. Acta, 1989, 156, 157-161. [all data]
Zhang and Yang, 1989, 2
Zhang, Z.-Y.; Yang, M.-L.,
Heat capacities and phase transitions of 1,1,1-trihydroxymethylpropane and pentaerythritol over the superambient temperature range,
Thermochim. Acta, 1989, 156, 157. [all data]
Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc.,
Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [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]
Chandra, Mandalia, et al., 2002
Chandra, D.; Mandalia, H.; Chien, W.-M.; Lindle, D.W.; Rudman, R.,
Solid-Solid Phase Transition in Trimethylolpropane (TRMP),
Zeitschrift für Physikalische Chemie, 2002, 216, 12/2002, https://doi.org/10.1524/zpch.2002.216.12.1389
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, Phase change data, References
- Symbols used in this document:
Cp,solid Constant pressure heat capacity of solid Tboil Boiling point Ttriple Triple point temperature ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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