1,3-Hexanediol, 2-ethyl-
- Formula: C8H18O2
- Molecular weight: 146.2273
- IUPAC Standard InChIKey: RWLALWYNXFYRGW-UHFFFAOYSA-N
- CAS Registry Number: 94-96-2
- 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: Carbide 6-12; Ethohexadiol; Octylene glycol; Repellent 612; Rutgers 612; 2-Ethyl-1,3-hexandiol; 2-Ethyl-1,3-hexanediol; 2-Ethyl-1,3-hexylene glycol; 6-12; 6-12-Insect repellent; 2-Ethylhexane-1,3-diol; Compound 6-12, insect repellent; Ethyl hexanediol; Ethyl hexylene glycol; ENT 375; 2-Ethyl-3-propyl-1,3-propanediol; 2-Ethylhexanediol-1,3; 3-Hydroxymethyl-n-heptan-4-ol; 2-Ethylhexanediol; EH diol; EHD; Ethyl-1,3-hexane diol-2; NSC 3881; Diol-Kyowa 8
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Phase change data
Go To: Top, Henry's Law 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 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 |
---|---|---|---|---|---|
Tboil | 517.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Tboil | 516.25 | K | N/A | Mellan, 1962 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 79.5 | kJ/mol | N/A | Blaine and Levy, 1974 | Based on data from 331. to 413. K. See also Verevkin, 2007.; AC |
Henry's Law data
Go To: Top, Phase change 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
2.0×10+6 | E | N/A | Value obtained by missing citation using the group contribution method. |
IR Spectrum
Go To: Top, Phase change data, Henry's Law data, 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
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | NIST Standard Reference Data Program Collection (C) 2018 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 |
State | gas |
Instrument | HP-GC/MS/IRD |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Henry's Law data, IR Spectrum, 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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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 | Japan AIST/NIMC Database- Spectrum MS-NW- 525 |
NIST MS number | 227929 |
References
Go To: Top, Phase change data, Henry's Law data, IR Spectrum, 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.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
Mellan, 1962
Mellan, I.,
Polyhydric Alcohols, Spartan Books: Washington, DC, 1962. [all data]
Blaine and Levy, 1974
Blaine, Roger L.; Levy, Paul F.,
The Use of Thermal Evolution Analysis (TEA) for the Determination of Vapor Pressure of Agricultural Chemicals, 1974, 185-198, https://doi.org/10.1007/978-1-4757-4509-215
. [all data]
Verevkin, 2007
Verevkin, Sergey P.,
Vapor Pressures and Enthalpies of Vaporization of a Series of the 1,3-Alkanediols,
J. Chem. Eng. Data, 2007, 52, 1, 301-308, https://doi.org/10.1021/je060419q
. [all data]
Notes
Go To: Top, Phase change data, Henry's Law data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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