Benzyl alcohol
- Formula: C7H8O
- Molecular weight: 108.1378
- IUPAC Standard InChI: InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
- IUPAC Standard InChIKey: WVDDGKGOMKODPV-UHFFFAOYSA-N
- CAS Registry Number: 100-51-6
- 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: Benzenemethanol; α-Hydroxytoluene; α-Toluenol; (Hydroxymethyl)benzene; Benzenecarbinol; Phenylcarbinol; Phenylmethanol; Phenylmethyl alcohol; Methanol, phenyl-; NCI-C06111; Hydroxytoluene; Bentalol; Benzoyl alcohol; Benzenmethanol; Benzylic alcohol; Methanol benzene; NSC 8044; Benzyl Alkohol
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Condensed phase thermochemistry data
Go To: Top, 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:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°liquid | -37.02 ± 0.72 | kcal/mol | Ccr | Papina, Pimenova, et al., 1995 | ALS |
| ΔfH°liquid | -38.49 ± 0.30 | kcal/mol | Ccb | Parks, Manchester, et al., 1954 | ALS |
| ΔfH°liquid | -41.7 | kcal/mol | Ccb | Landrieu, Baylocq, et al., 1929 | ALS |
| ΔfH°liquid | -39.8 | kcal/mol | Ccb | Schmidlin, 1906 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -894.60 ± 0.67 | kcal/mol | Ccr | Papina, Pimenova, et al., 1995 | Corresponding ΔfHºliquid = -37.02 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -893.15 | kcal/mol | Ccb | Parks, Manchester, et al., 1954 | Corresponding ΔfHºliquid = -38.47 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -889.9 | kcal/mol | Ccb | Landrieu, Baylocq, et al., 1929 | Corresponding ΔfHºliquid = -41.7 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -890.0 | kcal/mol | Ccb | Barker, 1925 | Author was aware that data differs from previously reported values; Corresponding ΔfHºliquid = -41.6 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -891.8 | kcal/mol | Ccb | Schmidlin, 1906 | Corresponding ΔfHºliquid = -39.8 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 51.79 | cal/mol*K | N/A | Parks, Todd, et al., 1936 | Extrapolation below 90 K, 54.06 J/mol*K.; DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 53.44 | 307.5 | Griigo'ev, Yanin, et al., 1979 | T = 307 to 461 K. p = 0.98 bar.; DH |
| 51.611 | 298.15 | Nichols and Wads, 1975 | DH |
| 52.070 | 298.1 | Parks, Todd, et al., 1936 | T = 90 to 300 K.; DH |
| 51.60 | 298.5 | Smith and Andrews, 1931 | T = 102 to 299 K. Value is unsmoothed experimental datum.; DH |
| 52.70 | 298. | von Reis, 1881 | T = 290 to 485 K.; DH |
References
Go To: Top, Condensed phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Papina, Pimenova, et al., 1995
Papina, T.S.; Pimenova, S.M.; Luk'yanova, V.A.; Kolesov, V.P.,
Standard enthalpies of formation of benzyl alcohol and α,α,α-trichlorotoluene,
Russ. J. Phys. Chem. (Engl. Transl.), 1995, 69, 1951-1953, In original 2148. [all data]
Parks, Manchester, et al., 1954
Parks, G.S.; Manchester, K.E.; Vaughan, L.M.,
Heats of combustion and formation of some alcohols, phenols, and ketones,
J. Chem. Phys., 1954, 22, 2089-2090. [all data]
Landrieu, Baylocq, et al., 1929
Landrieu, P.; Baylocq, F.; Johnson, J.R.,
Etude thermochimique dans la serie furanique,
Bull. Soc. Chim. France, 1929, 45, 36-49. [all data]
Schmidlin, 1906
Schmidlin, M.J.,
Recherches chimiques et thermochimiques sur la constitution des rosanilines,
Ann. Chim. Phys., 1906, 1, 195-256. [all data]
Barker, 1925
Barker, M.F.,
Calorific value and constitution,
J. Phys. Chem., 1925, 29, 1345-1363. [all data]
Parks, Todd, et al., 1936
Parks, G.S.; Todd, S.S.; Moore, W.A.,
Thermal data on organic compounds. XVI. Some heat capacity, entropy and free energy data for typical benzene derivatives and heterocyclic compounds,
J. Am. Chem. Soc., 1936, 58, 398-401. [all data]
Griigo'ev, Yanin, et al., 1979
Griigo'ev, B.A.; Yanin, G.S.; Rastorguev, Yu.L.; Thermophysical parameters of alcohols, Tr. GIAP,
54, 1979, 57-64. [all data]
Nichols and Wads, 1975
Nichols, N.; Wads, I.,
Thermochemistry of solutions of biochemical model compounds. 3. Some benzene derivatives in aqueous solution,
J. Chem. Thermodynam., 1975, 7, 329-336. [all data]
Smith and Andrews, 1931
Smith, R.H.; Andrews, D.H.,
Thermal energy studies. I. Phenyl derivatives of methane,
ethane and some related compounds. J. Am. Chem. Soc., 1931, 53, 3644-3660. [all data]
von Reis, 1881
von Reis, M.A.,
Die specifische Wärme flüssiger organischer Verbindungen und ihre Beziehung zu deren Moleculargewicht,
Ann. Physik [3], 1881, 13, 447-464. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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