- Formula: C9H20O2
- Molecular weight: 160.2539
- IUPAC Standard InChI:
- Download the identifier in a file.
- 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
- 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 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
|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 (bar)||Reference||Comment|
|451.2||0.067||Aldrich Chemical Company Inc., 1990||BS|
Enthalpy of vaporization
|vapH (kJ/mol)||Temperature (K)||Method||Reference||Comment|
|74.3 ± 0.3||420.||EB||Steele, Chirico, et al., 2002||Based on data from 424. - 523. K.; AC|
|67.2 ± 0.3||460.||EB||Steele, Chirico, et al., 2002||Based on data from 424. - 523. K.; AC|
|61.4 ± 0.6||500.||EB||Steele, Chirico, et al., 2002||Based on data from 424. - 523. K.; AC|
Enthalpy of fusion
|fusH (kJ/mol)||Temperature (K)||Reference||Comment|
|20.8||317.3||Steele, Chirico, et al., 2002||AC|
Mass spectrum (electron ionization)
Go To: Top, Phase change data, References, Notes
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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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|
Go To: Top, Phase change data, Mass spectrum (electron ionization), Notes
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]
Go To: Top, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point fusH Enthalpy of fusion vapH Enthalpy of vaporization
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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