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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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -94.6 ± 3.0 | kJ/mol | Ccr | Papina, Pimenova, et al., 1995 | ALS |
| ΔfH°gas | -100.7 | kJ/mol | N/A | Parks, Manchester, et al., 1954 | Value computed using ΔfHliquid° value of -161.0±1.3 kj/mol from Parks, Manchester, et al., 1954 and ΔvapH° value of 60.3 kj/mol from Papina, Pimenova, et al., 1995.; DRB |
| ΔfH°gas | -113.7 | kJ/mol | N/A | Landrieu, Baylocq, et al., 1929 | Value computed using ΔfHliquid° value of -174.0 kj/mol from Landrieu, Baylocq, et al., 1929 and ΔvapH° value of 60.3 kj/mol from Papina, Pimenova, et al., 1995.; DRB |
| ΔfH°gas | -106.7 | kJ/mol | N/A | Schmidlin, 1906 | Value computed using ΔfHliquid° value of -167.0 kj/mol from Schmidlin, 1906 and ΔvapH° value of 60.3 kj/mol from Papina, Pimenova, et al., 1995.; DRB |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry 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 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 | -154.9 ± 3.0 | kJ/mol | Ccr | Papina, Pimenova, et al., 1995 | ALS |
| ΔfH°liquid | -161.0 ± 1.3 | kJ/mol | Ccb | Parks, Manchester, et al., 1954 | ALS |
| ΔfH°liquid | -174. | kJ/mol | Ccb | Landrieu, Baylocq, et al., 1929 | ALS |
| ΔfH°liquid | -167. | kJ/mol | Ccb | Schmidlin, 1906 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -3743.0 ± 2.8 | kJ/mol | Ccr | Papina, Pimenova, et al., 1995 | Corresponding ΔfHºliquid = -154.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -3736.9 | kJ/mol | Ccb | Parks, Manchester, et al., 1954 | Corresponding ΔfHºliquid = -161.0 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -3723. | kJ/mol | Ccb | Landrieu, Baylocq, et al., 1929 | Corresponding ΔfHºliquid = -174. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -3724. | kJ/mol | Ccb | Barker, 1925 | Author was aware that data differs from previously reported values; Corresponding ΔfHºliquid = -174. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -3731. | kJ/mol | Ccb | Schmidlin, 1906 | Corresponding ΔfHºliquid = -167. kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 216.7 | J/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 (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 223.6 | 307.5 | Griigo'ev, Yanin, et al., 1979 | T = 307 to 461 K. p = 0.98 bar.; DH |
| 215.94 | 298.15 | Nichols and Wads, 1975 | DH |
| 217.86 | 298.1 | Parks, Todd, et al., 1936 | T = 90 to 300 K.; DH |
| 215.9 | 298.5 | Smith and Andrews, 1931 | T = 102 to 299 K. Value is unsmoothed experimental datum.; DH |
| 220.5 | 298. | von Reis, 1881 | T = 290 to 485 K.; DH |
References
Go To: Top, Gas phase thermochemistry data, 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, Gas phase thermochemistry data, 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°gas Enthalpy of formation of gas 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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