1-Butanol
- Formula: C4H10O
- Molecular weight: 74.1216
- IUPAC Standard InChI: InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
- IUPAC Standard InChIKey: LRHPLDYGYMQRHN-UHFFFAOYSA-N
- CAS Registry Number: 71-36-3
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
View 3d structure (requires JavaScript / HTML 5) - Other names: Butyl alcohol; n-Butan-1-ol; n-Butanol; n-Butyl alcohol; Butyl hydroxide; CCS 203; Hemostyp; Methylolpropane; Propylcarbinol; n-C4H9OH; Butanol; Butan-1-ol; 1-Hydroxybutane; Alcool butylique; Butanolo; Butylowy alkohol; Butyric alcohol; Propylmethanol; Butanolen; 1-Butyl alcohol; Rcra waste number U031; Butanol-1; NSC 62782
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Gas phase thermochemistry data
Go To: Top, 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:
DRB - Donald R. Burgess, Jr.
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -66. ± 1. | kcal/mol | AVG | N/A | Average of 13 values; Individual data points |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas | 86.515 | cal/mol*K | N/A | Chao J., 1986 | Other values of S(298.15 K) based on low-temperature thermal measurements are (in J/mol*K): 363.17 [65COU/HAL], 362.33 [ Chermin H.A.G., 1961], and 361.9 [ Buckley E., 1967].; GT |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 10.17 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Recommended S(T) and Cp(T) values agree with those calculated by [ Chermin H.A.G., 1961] within 1.5 J/mol*K. S(T) values calculated by [ Dyatkina M.E., 1954] are different from values given here by 12-30 J/mol*K. Please also see Chao J., 1986.; GT |
| 13.94 | 100. | ||
| 16.75 | 150. | ||
| 19.43 | 200. | ||
| 24.063 | 273.15 | ||
| 25.820 ± 0.060 | 298.15 | ||
| 25.951 | 300. | ||
| 33.021 | 400. | ||
| 39.297 | 500. | ||
| 44.546 | 600. | ||
| 48.956 | 700. | ||
| 52.715 | 800. | ||
| 55.963 | 900. | ||
| 58.779 | 1000. | ||
| 61.228 | 1100. | ||
| 63.360 | 1200. | ||
| 65.215 | 1300. | ||
| 66.833 | 1400. | ||
| 68.246 | 1500. | ||
| 71.06 | 1750. | ||
| 73.09 | 2000. | ||
| 74.62 | 2250. | ||
| 75.74 | 2500. | ||
| 76.60 | 2750. | ||
| 77.25 | 3000. |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 33.68 ± 0.19 | 395.25 | Stromsoe E., 1970 | Ideal gas heat capacities are given by [ Stromsoe E., 1970] as a linear function Cp=f1*(a+bT). This expression approximates the experimental values with the average deviation of 0.79 J/mol*K. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%.; GT |
| 32.954 | 398.15 | ||
| 34.18 ± 0.19 | 404.15 | ||
| 34.46 ± 0.19 | 409.15 | ||
| 33.953 | 413.15 | ||
| 35.03 ± 0.19 | 419.55 | ||
| 35.67 ± 0.19 | 431.05 | ||
| 35.234 | 433.15 | ||
| 36.23 ± 0.19 | 441.15 | ||
| 36.487 | 453.15 | ||
| 37.26 ± 0.19 | 459.55 | ||
| 38.85 ± 0.19 | 488.25 | ||
| 40.62 ± 0.19 | 520.05 | ||
| 42.06 ± 0.19 | 545.95 | ||
| 43.31 ± 0.19 | 568.45 | ||
| 45.25 ± 0.19 | 603.35 |
Mass spectrum (electron ionization)
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 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 | NIST Mass Spectrometry Data Center, 1994 |
| NIST MS number | 133176 |
References
Go To: Top, Gas phase thermochemistry 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.
Chao J., 1986
Chao J.,
Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties,
J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]
Chermin H.A.G., 1961
Chermin H.A.G.,
Thermo data for petrochemicals. Part 28. Gaseous normal alcohols. The important thermo properties are presented for all the gaseous normal alcohols from methanol through n-decanol,
Petrol. Refiner, 1961, 40 (4), 127-130. [all data]
Buckley E., 1967
Buckley E.,
Chemical equilibria. Part 2. Dehydrogenation of propanol and butanol,
Trans. Faraday Soc., 1967, 63, 895-901. [all data]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Dyatkina M.E., 1954
Dyatkina M.E.,
Thermodynamic functions of normal alcohols (propanol, butanol, ethylene glycol),
Zh. Fiz. Khim., 1954, 28, 377. [all data]
Stromsoe E., 1970
Stromsoe E.,
Heat capacity of alcohol vapors at atmospheric pressure,
J. Chem. Eng. Data, 1970, 15, 286-290. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas S°gas Entropy of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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