1,3-Propanediol, 2-butyl-2-ethyl-
- Formula: C9H20O2
- Molecular weight: 160.2539
- IUPAC Standard InChIKey: DSKYSDCYIODJPC-UHFFFAOYSA-N
- CAS Registry Number: 115-84-4
- 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: BEP; 2-Ethyl-2-Butylpropanediol-1,3; 2-n-Butyl-2-ethyl-1,3-propanediol; 2-Butyl-2-ethyl-1,3-propanediol; 2-Ethyl-2-butyl-1,3-propandeiol; 3,3-Bis(hydroxymethyl)heptane; 2-Ethyl-2-butyl-1,3-propanediol; 2-Butyl-2-ethylpropanediol; NSC 406603
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Phase change data
Go To: Top, 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
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 314.25 | K | N/A | Mellan, 1962 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 312.2 | K | N/A | Adkins and Billica, 1948 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 314.8 | K | N/A | Shortridge, Craig, et al., 1948 | Uncertainty assigned by TRC = 0.5 K; TRC |
Reduced pressure boiling point
Tboil (K) | Pressure (atm) | Reference | Comment |
---|---|---|---|
451.2 | 0.066 | Aldrich Chemical Company Inc., 1990 | BS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
17.8 ± 0.07 | 420. | EB | Steele, Chirico, et al., 2002 | Based on data from 424. to 523. K.; AC |
16.1 ± 0.07 | 460. | EB | Steele, Chirico, et al., 2002 | Based on data from 424. to 523. K.; AC |
14.7 ± 0.1 | 500. | EB | Steele, Chirico, et al., 2002 | Based on data from 424. to 523. K.; AC |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
4.97 | 317.3 | Steele, Chirico, et al., 2002 | AC |
Mass spectrum (electron ionization)
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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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. |
---|---|
Origin | D.HENNEBERG, MAX-PLANCK INSTITUTE, MULHEIM, WEST GERMANY |
NIST MS number | 63569 |
References
Go To: Top, 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.
Mellan, 1962
Mellan, I.,
Polyhydric Alcohols, Spartan Books: Washington, DC, 1962. [all data]
Adkins and Billica, 1948
Adkins, H.; Billica, H.R.,
The Hydrogenation of Esters to Alcohols at 15 - 150 deg,
J. Am. Chem. Soc., 1948, 70, 3121-5. [all data]
Shortridge, Craig, et al., 1948
Shortridge, R.W.; Craig, R.A.; Greenlee, K.W.; Derfer, J.M.; Boord, C.E.,
The Synthesis of Some Cyclopropane and Spirane Hydrocarbons,
J. Am. Chem. Soc., 1948, 70, 946. [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]
Steele, Chirico, et al., 2002
Steele, W.V.; Chirico, R.D.; Knipmeyer, S.E.; Nguyen, A.,
Vapor Pressure, Heat Capacity, and Density along the Saturation Line: Measurements for Benzenamine, Butylbenzene, sec -Butylbenzene, tert -Butylbenzene, 2,2-Dimethylbutanoic Acid, Tridecafluoroheptanoic Acid, 2-Butyl-2-ethyl-1,3-propanediol, 2,2,4-Trimethyl-1,3-pentanediol, and 1-Chloro-2-propanol,
J. Chem. Eng. Data, 2002, 47, 4, 648-666, https://doi.org/10.1021/je010083e
. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔvapH Enthalpy of vaporization - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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