2H-1-Benzopyran, 3,4-dihydro-
- Formula: C9H10O
- Molecular weight: 134.1751
- IUPAC Standard InChIKey: VZWXIQHBIQLMPN-UHFFFAOYSA-N
- CAS Registry Number: 493-08-3
- 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: Chroman; 3,4-Dihydro-2H-1-benzopyran; Benzopyran, 3,4-dihydro; Dihydrobenzopyran
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Gas phase thermochemistry data
Go To: Top, Phase change 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -82.4 ± 1.2 | kJ/mol | Ccb | Chirico, Archer, et al., 1990 |
Phase change data
Go To: Top, Gas phase thermochemistry 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 as indicated in comments:
BS - Robert L. Brown and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 269.836 | K | N/A | Chirico, Nguyen, et al., 1986 | DH |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 56.7 | kJ/mol | V | Chirico, Archer, et al., 1990 | ALS |
ΔvapH° | 56.7 | kJ/mol | N/A | Chirico, Archer, et al., 1990 | DRB |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 56.7 ± 0.1 | kJ/mol | IPM,EB | Chirico, Archer, et al., 1990 | Based on data from 293. to 535. K.; AC |
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference | Comment |
---|---|---|---|
487.7 | 0.989 | Weast and Grasselli, 1989 | BS |
371.7 | 0.024 | Weast and Grasselli, 1989 | BS |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
55.2 ± 0.1 | 320. | IPM,EB | Chirico, Archer, et al., 1990 | Based on data from 293. to 535. K.; AC |
52.7 ± 0.1 | 360. | IPM,EB | Chirico, Archer, et al., 1990 | Based on data from 293. to 535. K.; AC |
50.2 ± 0.1 | 400. | IPM,EB | Chirico, Archer, et al., 1990 | Based on data from 293. to 535. K.; AC |
48.9 ± 0.1 | 440. | IPM,EB | Chirico, Archer, et al., 1990 | Based on data from 293. to 535. K.; AC |
45.1 ± 0.3 | 480. | IPM,EB | Chirico, Archer, et al., 1990 | Based on data from 293. to 535. K.; AC |
42.5 ± 0.5 | 520. | IPM,EB | Chirico, Archer, et al., 1990 | Based on data from 293. to 535. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
16.25537 | 269.836 | Chirico, Archer, et al., 1990 | DH |
16.26 | 269.8 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
60.242 | 269.836 | Chirico, Archer, et al., 1990 | DH |
Mass spectrum (electron ionization)
Go To: Top, Gas 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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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 | ORMSBG,10(11)992(1975); H. BUDZIKIEWICZ |
NIST MS number | 54713 |
References
Go To: Top, Gas 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.
Chirico, Archer, et al., 1990
Chirico, R.D.; Archer, D.G.; Hossenlopp, I.A.; Nguyen, A.; Steele, W.V.; Gammon, B.E.,
The thermodynamic properties of chroman and isochroman,
J. Chem. Thermodyn., 1990, 22, 665-682. [all data]
Chirico, Nguyen, et al., 1986
Chirico, R.D.; Nguyen, A.; Steele, W.V.; Strube, M.M.; Hossenlopp, I.A.; Gammon, B.E.,
Thermochemical and thermophysical properties of organic compounds derived from fossil substances. Chemical thermodynamic properties of organic oxygen compounds found in fossil materials,
NIPER Report, 1986, 135, 42p. [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]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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