1,3-Difluoro-2-propanol
- Formula: C3H6F2O
- Molecular weight: 96.0759
- IUPAC Standard InChIKey: PVDLUGWWIOGCNH-UHFFFAOYSA-N
- CAS Registry Number: 453-13-4
- 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: 1,3-Difluoroisopropanol; 2-Propanol, 1,3-difluoro-; 1,3-difluoropropan-2-ol
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Phase change data
Go To: Top, Reaction thermochemistry data, Ion clustering 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: Robert L. Brown and Stephen E. Stein
Reduced pressure boiling point
Tboil (K) | Pressure (bar) | Reference |
---|---|---|
327.7 | 0.045 | Weast and Grasselli, 1989 |
Reaction thermochemistry data
Go To: Top, Phase change data, Ion clustering 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: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
By formula: CN- + C3H6F2O = (CN- • C3H6F2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 98.3 | kJ/mol | ICR | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 109. | J/mol*K | N/A | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 66.1 | kJ/mol | ICR | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971 |
By formula: Cl- + C3H6F2O = (Cl- • C3H6F2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 98.7 | kJ/mol | ICR | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)CH3COOH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)CH3COOH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 67.4 | kJ/mol | ICR | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)CH3COOH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2 |
By formula: F- + C3H6F2O = (F- • C3H6F2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 158. | kJ/mol | ICR | Larson and McMahon, 1983 | gas phase; switching reaction(H2O), Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 111. | J/mol*K | N/A | Larson and McMahon, 1983 | gas phase; switching reaction(H2O), Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 125. | kJ/mol | ICR | Larson and McMahon, 1983 | gas phase; switching reaction(H2O), Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970 |
Ion clustering data
Go To: Top, Phase change data, Reaction 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 by: Michael M. Meot-Ner (Mautner) and Sharon G. Lias
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.
Clustering reactions
By formula: CN- + C3H6F2O = (CN- • C3H6F2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 98.3 | kJ/mol | ICR | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 109. | J/mol*K | N/A | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 66.1 | kJ/mol | ICR | Larson and McMahon, 1987 | gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971 |
By formula: Cl- + C3H6F2O = (Cl- • C3H6F2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 98.7 | kJ/mol | ICR | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)CH3COOH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 105. | J/mol*K | N/A | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)CH3COOH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 67.4 | kJ/mol | ICR | Larson and McMahon, 1984 | gas phase; switching reaction(Cl-)CH3COOH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2 |
By formula: F- + C3H6F2O = (F- • C3H6F2O)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 158. | kJ/mol | ICR | Larson and McMahon, 1983 | gas phase; switching reaction(H2O), Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 111. | J/mol*K | N/A | Larson and McMahon, 1983 | gas phase; switching reaction(H2O), Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970 |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 125. | kJ/mol | ICR | Larson and McMahon, 1983 | gas phase; switching reaction(H2O), Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970 |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Reaction thermochemistry data, Ion clustering 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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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 | Chuck Anderson, Aldrich Chemical Co. |
NIST MS number | 107824 |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Ion clustering 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.
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]
Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids,
J. Am. Chem. Soc., 1987, 109, 6230. [all data]
Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P.,
Hydration of CN-, NO2-, NO3-, and HO- in the gas phase,
Can. J. Chem., 1971, 49, 3308. [all data]
Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B.,
Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria,
J. Am. Chem. Soc., 1984, 106, 517. [all data]
Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B.,
Gas phase negative ion chemistry of alkylchloroformates,
Can. J. Chem., 1984, 62, 675. [all data]
Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B.,
Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements,
J. Am. Chem. Soc., 1983, 105, 2944. [all data]
Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P.,
Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions,
J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014
. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, Ion clustering data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Tboil Boiling point ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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