- InChI
- InChI=1S/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3/t4-/m0/s1
- InChI Key
- BTANRVKWQNVYAZ-BYPYZUCNSA-N
- Formula
- C4H10O
- SMILES
- CCC(C)O
- Molecular Weight1
- 74.12
- CAS
- 14898-79-4
- Other Names
-
- (-)-2-Butanol
- (R)-(-)-2-Butanol
- (R)-2-Butanol
- (R)-butan-2-ol
- sec-Butyl Alcohol, (R)-(-)-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.5296 | Relay (1.0) Calculated Property | |
| ΔfG° | -156.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -310.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 6.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | 0.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.777 | Crippen Calculated Property | |
| McVol | 73.090 | ml/mol | McGowan Calculated Property |
| Pc | 4432.62 | kPa | Joback Calculated Property |
| Tboil | [372.45; 372.70] | K |
|
| Tboil | 372.70 | K | NIST |
| Tboil | 372.45 ± 0.50 | K | NIST |
| Tc | 524.19 | K | Relay (1.0) Calculated Property |
| Tfus | 178.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.278 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [102.52; 244.90] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 2.86100e+00 | |||
| Coefficient B | 4.23740e-01 | |||
| Coefficient C | -2.27400e-04 | |||
| Coefficient D | 4.57000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 102.52 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 126.33 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 147.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 167.09 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 184.33 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 199.67 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 213.25 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 225.22 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 235.72 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 244.90 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.4179525; 0.0003229] | Pa×s | [180.66; 384.04] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.44033e+01 | |||
| Coefficient B | 2.44449e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 180.66 | |||
| Temperature range, max. | 384.04 | |||
| η | 0.4179525 | Pa×s | 180.66 | Calculated Property |
| η | 0.0928547 | Pa×s | 203.26 | Calculated Property |
| η | 0.0278751 | Pa×s | 225.86 | Calculated Property |
| η | 0.0104157 | Pa×s | 248.45 | Calculated Property |
| η | 0.0045862 | Pa×s | 271.05 | Calculated Property |
| η | 0.0022911 | Pa×s | 293.65 | Calculated Property |
| η | 0.0012639 | Pa×s | 316.25 | Calculated Property |
| η | 0.0007548 | Pa×s | 338.84 | Calculated Property |
| η | 0.0004808 | Pa×s | 361.44 | Calculated Property |
| η | 0.0003229 | Pa×s | 384.04 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [285.12; 393.01] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.65045e+01 | |||
| Coefficient B | -3.89812e+03 | |||
| Coefficient C | -4.47470e+01 | |||
| Temperature range, min. | 285.12 | |||
| Temperature range, max. | 393.01 | |||
| Pvap | 1.33 | kPa | 285.12 | Calculated Property |
| Pvap | 2.88 | kPa | 297.11 | Calculated Property |
| Pvap | 5.80 | kPa | 309.10 | Calculated Property |
| Pvap | 11.00 | kPa | 321.08 | Calculated Property |
| Pvap | 19.78 | kPa | 333.07 | Calculated Property |
| Pvap | 33.93 | kPa | 345.06 | Calculated Property |
| Pvap | 55.84 | kPa | 357.05 | Calculated Property |
| Pvap | 88.59 | kPa | 369.03 | Calculated Property |
| Pvap | 135.98 | kPa | 381.02 | Calculated Property |
| Pvap | 202.65 | kPa | 393.01 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanol, (R)-.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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