2-Butanol
- Formula: C4H10O
- Molecular weight: 74.1216
- IUPAC Standard InChI: InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
- IUPAC Standard InChIKey: BTANRVKWQNVYAZ-UHFFFAOYSA-N
- CAS Registry Number: 78-92-2
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: sec-Butyl Alcohol; sec-Butanol; CCS 301; Ethyl methyl carbinol; Methyl ethyl carbinol; 1-Methyl-1-propanol; 1-Methylpropyl alcohol; 2-Hydroxybutane; sec-C4H9OH; Butane, 2-hydroxy-; Butanol-2; Butan-2-ol; 2-Butyl alcohol; s-Butyl alcohol; Butylene hydrate; DL-sec-Butanol; DL-2-Butanol; Alcool butylique secondaire; Butanol secondaire; s-Butanol; 1-Methyl propanol; n-Butan-2-ol; NSC 25499
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Gas 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:
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 | -70.05 | kcal/mol | N/A | Chao and Rossini, 1965 | Value computed using ΔfHliquid° value of -342.7±0.6 kj/mol from Chao and Rossini, 1965 and ΔvapH° value of 49.6 kj/mol from Skinner and Snelson, 1960.; DRB |
| ΔfH°gas | -70.1 ± 0.35 | kcal/mol | Ccb | Skinner and Snelson, 1960 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas | 84.935 | cal/mol*K | N/A | Chao J., 1986 | p=1 bar. Other third-law value of entropy at 298.15 K is 357.2 J/mol*K [ Andon R.J.L., 1971]. The value of S(298.15 K)=358.5 J/mol*K was obtained from equilibrium studies [ Buckley E., 1965].; GT |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 10.01 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Calculated entropy at 298.15 K is 4.1 J/mol*K higher than the third-law value. Authors [ Chao J., 1986] believe that this is greater than the expected experimental uncertainty and reflects the approximations made in the calculated value. However, it should be noted that other experimental values of S(298.15 K), 357.2 [ Andon R.J.L., 1971] and 358.5 J/mol*K [ Buckley E., 1965], are in better agreement with calculated value. Selected S(T) and Cp(T) values agree with other statistically calculated values [62BER/MCC] within 1 J/mol*K. Values calculated by [ Rodionov P.P., 1969] are up to 9 and 11 J/mol*K lower than selected ones fo Cp(T) and S(T) values, respectively. Please also see Chao J., 1986.; GT |
| 14.12 | 100. | ||
| 17.73 | 150. | ||
| 20.78 | 200. | ||
| 25.311 | 273.15 | ||
| 26.946 ± 0.041 | 298.15 | ||
| 27.067 | 300. | ||
| 33.638 | 400. | ||
| 39.587 | 500. | ||
| 44.653 | 600. | ||
| 48.953 | 700. | ||
| 52.646 | 800. | ||
| 55.844 | 900. | ||
| 58.628 | 1000. | ||
| 61.054 | 1100. | ||
| 63.169 | 1200. | ||
| 65.017 | 1300. | ||
| 66.628 | 1400. | ||
| 68.035 | 1500. | ||
| 70.84 | 1750. | ||
| 72.87 | 2000. | ||
| 74.38 | 2250. | ||
| 75.50 | 2500. | ||
| 76.34 | 2750. | ||
| 76.98 | 3000. |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 31.479 ± 0.096 | 365.15 | 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 0.67 J/mol*K. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%. Please also see Berman N.S., 1962.; GT |
| 32.95 ± 0.16 | 380.95 | ||
| 32.629 ± 0.098 | 383.15 | ||
| 33.25 ± 0.16 | 386.25 | ||
| 33.66 ± 0.16 | 393.75 | ||
| 33.81 ± 0.10 | 401.15 | ||
| 34.30 ± 0.16 | 405.15 | ||
| 34.35 ± 0.16 | 406.15 | ||
| 34.97 ± 0.16 | 417.25 | ||
| 34.95 ± 0.11 | 419.15 | ||
| 36.08 ± 0.11 | 437.15 | ||
| 36.28 ± 0.16 | 440.75 | ||
| 37.20 ± 0.11 | 455.15 | ||
| 37.96 ± 0.16 | 470.85 | ||
| 40.47 ± 0.16 | 515.95 | ||
| 42.94 ± 0.16 | 560.35 | ||
| 44.19 ± 0.16 | 582.85 |
References
Go To: Top, Gas phase thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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]
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]
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]
Andon R.J.L., 1971
Andon R.J.L.,
Thermodynamic properties of organic oxygen compounds. Part XXVII. (+/-)-Butan-2-ol and (+)-butan-2-ol,
J. Chem. Soc. A, 1971, 661-664. [all data]
Buckley E., 1965
Buckley E.,
Equilibria in some secondary alcohol + hydrogen + ketone systems,
Trans. Faraday Soc., 1965, 61, 1618-1625. [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]
Rodionov P.P., 1969
Rodionov P.P.,
Thermodynamic functions of 2-butanol (d,l),
Izv. Vyssh. Ucheb. Zaved., Khim. Khim. Tekhnol., 1969, 12, 1214-1218. [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]
Berman N.S., 1962
Berman N.S.,
Thermodynamic properties of 2-butanol,
J. Phys. Chem., 1962, 66, 1444-1448. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, 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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