1-Propanol, 2-methyl-
- Formula: C4H10O
- Molecular weight: 74.1216
- IUPAC Standard InChI: InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
- IUPAC Standard InChIKey: ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
- CAS Registry Number: 78-83-1
- 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: Isobutyl alcohol; Isobutanol; Isopropylcarbinol; 2-Methyl-1-propanol; iso-C4H9OH; Fermentation butyl alcohol; 1-Hydroxymethylpropane; 2-Methylpropanol; 2-Methylpropan-1-ol; 2-Methylpropanol-1; 2-Methylpropyl alcohol; Butanol-iso; Alcool isobutylique; Isobutylalkohol; Rcra waste number U140; UN 1212; i-Butyl alcohol; Isopropyl carbitol; Propanol, 2-methyl-; 2-methyl-1-propanyl alcohol; i-Butanol; Methyl-2 propanol-1; NSC 5708; 2-methylpropanoI
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
- Options:
Data at NIST subscription sites:
- NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
- NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Condensed phase thermochemistry data
Go To: Top, IR Spectrum, 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 | -334.6 ± 0.9 | kJ/mol | Eqk | Connett, 1975 | Heat of dehydrogenation; ALS |
| ΔfH°liquid | -333.6 ± 0.63 | kJ/mol | Ccb | Chao and Rossini, 1965 | see Rossini, 1934; ALS |
| ΔfH°liquid | -334.7 ± 0.84 | kJ/mol | Ccb | Skinner and Snelson, 1960 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -2669.6 ± 0.59 | kJ/mol | Ccb | Chao and Rossini, 1965 | see Rossini, 1934; Corresponding ΔfHºliquid = -333.5 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -2668.5 ± 0.84 | kJ/mol | Ccb | Skinner and Snelson, 1960 | Corresponding ΔfHºliquid = -334.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| ΔcH°liquid | -2665.79 | kJ/mol | Ccb | Richards and Davis, 1920 | At 291 K; Corresponding ΔfHºliquid = -337.40 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 214.5 | J/mol*K | N/A | Counsell, Lees, et al., 1968 | DH |
| Quantity | Value | Units | Method | Reference | Comment |
| S°solid,1 bar | 140.7 | J/mol*K | N/A | Counsell, Lees, et al., 1968 | glass phase; DH |
Constant pressure heat capacity of liquid
| Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 181.05 | 298.15 | Okano, Ogawa, et al., 1988 | DH |
| 182.01 | 298.15 | Piekarski and Somsen, 1988 | DH |
| 185.6 | 303.15 | Rybalkin, Emel'yanov, et al., 1978 | T = 293.15 to 353.15 K. Cp given as 2504 J/kg*K.; DH |
| 185.4 | 301.2 | Paz Andrade, Paz, et al., 1970 | T = 28, 40°C.; DH |
| 181.0 | 298.15 | Counsell, Lees, et al., 1968 | T = 10 to 350 K.; DH |
| 201.3 | 323. | Swietoslawski and Zielenkiewicz, 1960 | Mean value 21 to 78°C.; DH |
| 215.1 | 333. | Swietoslawski and Zielenkiewicz, 1958 | Mean value 21 to 99°C.; DH |
| 184.1 | 298.1 | Zhdanov, 1941 | T = 5 to 46°C.; DH |
| 187.0 | 303. | Willams and Daniels, 1924 | T = 303 to 343 K. Equation only.; DH |
Constant pressure heat capacity of solid
| Cp,solid (J/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 129.2 | 180. | Counsell, Lees, et al., 1968 | glass phase; T = 10 to 180 K.; DH |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compiled by: Coblentz Society, Inc.
- SOLUTION (0.5% IN CCl4 FOR 3800-1333, 0.5% IN CS2 FOR 1333-450 CM-1) VS SOLVENT; DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- SOLUTION (10% IN CCl4 FOR 3800-1340, 10% IN CS2 FOR 1340-400 CM-1) VS. SOLVENT; DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
- VAPOR (SATURATED); DOW KBr FOREPRISM-GRATING; DIGITIZED BY NIST FROM HARD COPY (FROM TWO SEGMENTS); 4 cm-1 resolution
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Connett, 1975
Connett, J.E.,
Chemical equilibria 6. Measurement of equilibrium constants for the dehydrogenation of 2-methylpropan-1-ol by a vapour-flow technique,
J. Chem. Thermodyn., 1975, 7, 1159-1162. [all data]
Chao and Rossini, 1965
Chao, J.; Rossini, F.D.,
Heats of combustion, formation, and isomerization of nineteen alkanols,
J. Chem. Eng. Data, 1965, 10, 374-379. [all data]
Rossini, 1934
Rossini, F.D.,
Heats of combustion and of formation of the normal aliphatic alcohols in the gaseous and liquid states, and the energies of their atomic linkages,
J. Res. NBS, 1934, 13, 189-197. [all data]
Skinner and Snelson, 1960
Skinner, H.A.; Snelson, A.,
The heats of combustion of the four isomeric butyl alcohols,
Trans. Faraday Soc., 1960, 56, 1776-1783. [all data]
Richards and Davis, 1920
Richards, T.W.; Davis, H.S.,
The heats of combustion of benzene, toluene, aliphatic alcohols, cyclohexanol, and other carbon compounds,
J. Am. Chem. Soc., 1920, 42, 1599-1617. [all data]
Counsell, Lees, et al., 1968
Counsell, J.F.; Lees, E.B.; Martin, J.F.,
Thermodynamic properties of organic oxygen compounds. Part XIX. Low temperature heat capacity and entropy of propan-1-ol, 2-methyl-propan-1-ol,
and pentan-1-ol, 1968, J. [all data]
Okano, Ogawa, et al., 1988
Okano, T.; Ogawa, H.; Murakami, S.,
Molar excess volumes, isentropic compressions, and isobaric heat capacities of methanol-isomeric butanol systems at 298.15 K,
Can. J. Chem., 1988, 66, 713-717. [all data]
Piekarski and Somsen, 1988
Piekarski, H.; Somsen, G.,
Heat capacities and volumes of mixtures of N,N-dimethylformamide with isobutanol, sec-butanol and t-pentanol, J. Chem. Soc.,
Faraday Trans. 1, 1988, 84(2), 529-537. [all data]
Rybalkin, Emel'yanov, et al., 1978
Rybalkin, V.I.; Emel'yanov, V.M.; Stupak, P.M.; Litovchenko, N.P.; Z'ola, M.I.,
Study of the heat capacity of initial compounds and reaction products in the production of metal dialkyldithiophosphates,
B.S.R. Inst. Neftepererab. Neftekhim. Prom. (Kiev), 1978, (16), 48-50. [all data]
Paz Andrade, Paz, et al., 1970
Paz Andrade, M.I.; Paz, J.M.; Recacho, E.,
Contribucion a la microcalorimetria de los calores especificos de solidos y liquidos,
An. Quim., 1970, 66, 961-967. [all data]
Swietoslawski and Zielenkiewicz, 1960
Swietoslawski, W.; Zielenkiewicz, A.,
Mean specific heat in homologous series of binary and ternary positive azeotropes,
Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1960, 8, 651-653. [all data]
Swietoslawski and Zielenkiewicz, 1958
Swietoslawski, W.; Zielenkiewicz, A.,
Mean specific heats of binary positive azeotropes,
Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1958, 6, 367-369. [all data]
Zhdanov, 1941
Zhdanov, A.K.,
Specific heats of some liquids and azeotropic mixtures,
Zhur. Obshch. Khim., 1941, 11, 471-482. [all data]
Willams and Daniels, 1924
Willams, J.W.; Daniels, F.,
The specific heats of certain organic liquids at elevated temperatures,
J. Am. Chem. Soc., 1924, 46, 903-917. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Cp,solid Constant pressure heat capacity of solid S°liquid Entropy of liquid at standard conditions S°solid,1 bar Entropy of solid at standard conditions (1 bar) 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.