3-Hexene, 2,2-dimethyl-, (Z)-

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Gas 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: Donald R. Burgess, Jr.

Quantity Value Units Method Reference Comment
Δfgas-23.1kcal/molN/AYates and McDonald, 1973Value computed using ΔfHliquid° value of -136.4±1.5 kj/mol from Yates and McDonald, 1973 and ΔvapH° value of 39.8 kj/mol from alkenes correlation.

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
Δfliquid-32.60 ± 0.37kcal/molCcbYates and McDonald, 1973 
Quantity Value Units Method Reference Comment
Δcliquid-1266.34 ± 0.37kcal/molCcbYates and McDonald, 1973Corresponding Δfliquid = -32.59 kcal/mol (simple calculation by NIST; no Washburn corrections)
Δcliquid-1263.97 ± 0.17kcal/molCcbYates and McDonald, 1971Corresponding Δfliquid = -34.96 kcal/mol (simple calculation by NIST; no Washburn corrections)
Δcliquid-1268.72 ± 0.59kcal/molCcbRockenfeller and Rossini, 1961Derived from the ratio of Heat of combustion; Corresponding Δfliquid = -30.21 kcal/mol (simple calculation by NIST; no Washburn corrections)

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:
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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein

Quantity Value Units Method Reference Comment
Tboil378.7KN/AWeast and Grasselli, 1989BS
Tboil379.0KN/ABoord, Henne, et al., 1949Uncertainty assigned by TRC = 0.5 K; TRC
Tboil378.95KN/ABoord, Greenlee, et al., 1946Uncertainty assigned by TRC = 0.6 K; TRC
Quantity Value Units Method Reference Comment
Tfus135.76KN/AStreiff, Hulme, et al., 1955Uncertainty assigned by TRC = 0.07 K; TRC
Tfus135.77KN/AStreiff, Hulme, et al., 1955Uncertainty assigned by TRC = 0.05 K; TRC
Tfus135.8KN/AStreiff, Hulme, et al., 1955Uncertainty assigned by TRC = 0.03 K; TRC
Tfus135.770KN/AAnonymous, 1951Uncertainty assigned by TRC = 0.06 K; TRC
Tfus135.800KN/AAnonymous, 1951Uncertainty assigned by TRC = 0.03 K; TRC
Quantity Value Units Method Reference Comment
Δvap8.89kcal/molN/AReid, 1972AC
Δvap8.86kcal/molVCamin and Rossini, 1960ALS

Enthalpy of vaporization

ΔvapH (kcal/mol) Temperature (K) Method Reference Comment
8.44334.AStephenson and Malanowski, 1987Based on data from 319. to 380. K.; AC
8.63320.MMCamin and Rossini, 1960, 2Based on data from 305. to 379. K.; AC

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:


Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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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Collection (C) 2014 copyright by the U.S. Secretary of Commerce
on behalf of the United States of America. All rights reserved.
NIST MS number 1588

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References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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.

Yates and McDonald, 1973
Yates, K.; McDonald, R.S., Kinetics and mechanisms of electrophilic addition. II. A thermochemical-kinetic approach to transition-state structure, J. Org. Chem., 1973, 38, 2465-2478. [all data]

Yates and McDonald, 1971
Yates, K.; McDonald, R.S., A thermochemical probe into the mechanism of electrophilic addition to olefins, J. Am. Chem. Soc., 1971, 93, 6297-6299. [all data]

Rockenfeller and Rossini, 1961
Rockenfeller, J.D.; Rossini, F.D., Heats of combustion, isomerization, and formation of selected C7, C8, and C10 monoolefin hydrocarbons, J. Phys. Chem., 1961, 65, 267-272. [all data]

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]

Boord, Henne, et al., 1949
Boord, C.E.; Henne, A.L.; Greenlee, K.W.; Perilstein, W.L.; Derfer, J.M., The Grignard Reagent in hydrocarbon synthesis, Ind. Eng. Chem., 1949, 41, 609. [all data]

Boord, Greenlee, et al., 1946
Boord, C.E.; Greenlee, K.W.; Perilstein, W.L., The Synthesis, Purification and Prop. of Hydrocarbons of Low Mol. Weight, Am. Pet. Inst. Res. Proj. 45, Eighth Annu. Rep., Ohio State Univ., June 30, 1946. [all data]

Streiff, Hulme, et al., 1955
Streiff, A.J.; Hulme, A.R.; Cowie, P.A.; Krouskop, N.C.; Rossini, F.D., Purification, Purity, and Freezing Points of Sixty-four American Petroleum Institute Standard and Research Hydrocarbons, Anal. Chem., 1955, 27, 411. [all data]

Anonymous, 1951
Anonymous, R., , Sunbury Rep. No. 4199, Anglo-Iranian Oil Co., 1951. [all data]

Reid, 1972
Reid, Robert C., Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00, AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637 . [all data]

Camin and Rossini, 1960
Camin, D.L.; Rossini, F.D., Physical properties of to selected C7 and C8 alkene hydrocarbons, J. Chem. Eng. Data, 1960, 5, 368. [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]

Camin and Rossini, 1960, 2
Camin, D.L.; Rossini, F.D., Physical Properties of 16 Selected C 7 and C 8 Alkene Hydrocarbons., J. Chem. Eng. Data, 1960, 5, 3, 368-372, https://doi.org/10.1021/je60007a037 . [all data]


Notes

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