Disulfide, bis(2-methylpropyl)
- Formula: C8H18S2
- Molecular weight: 178.359
- IUPAC Standard InChIKey: ONJROLGQWMBXAP-UHFFFAOYSA-N
- CAS Registry Number: 1518-72-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Isobutyl disulfide; Diisobutyl disulfide; Bis(2-methylpropyl) disulphide; 2,7-Dimethyl-4,5-dithiaoctane; Di(2-methylpropyl) disulfide; diisobutyl disulphide
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -170.9 ± 2.2 | kJ/mol | Ccb | Mackle and McClean, 1964 | Reanalyzed by Cox and Pilcher, 1970, Original value = -169.9 ± 2.1 kJ/mol |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -232.8 ± 1.4 | kJ/mol | Ccb | Mackle and McClean, 1964 | Reanalyzed by Cox and Pilcher, 1970, Original value = -231.8 ± 1.2 kJ/mol |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -6692.4 ± 1.2 | kJ/mol | Ccb | Mackle and McClean, 1964 | Reanalyzed by Cox and Pilcher, 1970, Original value = -6685.1 ± 1.2 kJ/mol |
Phase change data
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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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 493. | K | N/A | Birch and Norris, 1925 | Uncertainty assigned by TRC = 15. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 57.2 ± 0.1 | kJ/mol | C | Kusano, 1985 | AC |
ΔvapH° | 57.2 | kJ/mol | N/A | Shimizu, Saito, et al., 1981 | AC |
ΔvapH° | 62. ± 2. | kJ/mol | E | Mackle and McClean, 1964 | ALS |
ΔvapH° | 61.9 | kJ/mol | N/A | Mackle and McClean, 1964 | DRB |
IR Spectrum
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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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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 | Sadtler Research Labs Under US-EPA Contract |
State | gas |
Mass spectrum (electron ionization)
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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-2736 |
NIST MS number | 231533 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Bol'shakov, et al., 1969 |
---|---|
Owner | INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
Origin | INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS |
Source reference | RAS UV No. 20138 |
Instrument | unknown |
Boiling point | 220 |
Gas Chromatography
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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 | Apiezon M | 130. | 1208. | Garbuzov, Misharina, et al., 1985 | He or N2, Chromosorb W, AW-DMCS; Column length: 2.1 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 1178. | Tamura, Nakamoto, et al., 1995 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 1182. | Tamura, Nakamoto, et al., 1995 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SE-30 | 1205. | Vinogradov, 2004 | Program: not specified |
Packed | Apiezon M | 1208. | Golovnya, Misharina, et al., 1983 | N2, Chromosorb W AW/DMCS; Column length: 5.6 m; Program: 60C(7min), 100C(7min), 150C isothermal |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1435. | Vinogradov, 2004 | Program: not specified |
Capillary | DB-Wax | 1428. | Peng, Yang, et al., 1991 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mackle and McClean, 1964
Mackle, H.; McClean, R.T.B.,
Studies in the thermochemistry of organic sulphides. Part 5.-Dithia-alkanes,
Trans. Faraday Soc., 1964, 60, 669-672. [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]
Birch and Norris, 1925
Birch, S.F.; Norris, W.S.G.P.,
The Chemistry of Petroleum Part I. The Occurence of Compounds of Sulphur in the Liqht Distillate from the Crude Oil of Maindan-i-Naftun,
J. Chem. Soc., 1925, 127, 898. [all data]
Kusano, 1985
Kusano, Kazuhito,
Micro conduction calorimeters to measure enthalpies of vaporization,
Thermochimica Acta, 1985, 88, 1, 109-120, https://doi.org/10.1016/0040-6031(85)85418-6
. [all data]
Shimizu, Saito, et al., 1981
Shimizu, M.; Saito, Y.; Kusano, K.,
, Preprints 17th Conf. Chem. Thermodyn. Thermal Anal., Japan, 1981, 50. [all data]
Bol'shakov, et al., 1969
Bol'shakov, G.F., et al.,
Ultraviolet spectra of heteroorganic compounds, 1969, 146. [all data]
Garbuzov, Misharina, et al., 1985
Garbuzov, V.G.; Misharina, T.A.; Aerov, A.F.; Golovnya, R.V.,
Gas chromatographic retention indices for sulphur(II)-containing organic substances,
J. Anal. Chem. USSR (Engl. Transl.), 1985, 40, 4, 576-586. [all data]
Tamura, Nakamoto, et al., 1995
Tamura, H.; Nakamoto, H.; Yang, R.-H.; Sugisawa, H.,
Characteristic aroma compounds in green algae (Ulva pertusa) volatiles,
Nippon Shokuhin Kagaku Kogaku Kaishi, 1995, 42, 11, 887-891, https://doi.org/10.3136/nskkk.42.887
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Golovnya, Misharina, et al., 1983
Golovnya, R.V.; Misharina, T.A.; Garbuzov, V.G.; Medvedyev, F.A.,
Volatile sulfur containing compounds in simulated meat flavour and their comparison with the constituents of natural aroma,
Nahrung, 1983, 27, 3, 237-249, https://doi.org/10.1002/food.19830270314
. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point 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 ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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