- InChI
- InChI=1S/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3/t5-/m1/s1
- InChI Key
- QPRQEDXDYOZYLA-RXMQYKEDSA-N
- Formula
- C5H12O
- SMILES
- CCC(C)CO
- Molecular Weight1
- 88.15
- CAS
- 1565-80-6
- Other Names
-
- (S)-(-)-2-Methyl-1-butanol
- (S)-2-methylbutan-1-ol
- l-2-Methyl-1-butanol
- 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 | 0.5628 | Relay (1.0) Calculated Property | |
| ΔfG° | -148.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.91 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.025 | Crippen Calculated Property | |
| McVol | 87.180 | ml/mol | McGowan Calculated Property |
| Pc | 3916.03 | kPa | Joback Calculated Property |
| Tboil | [400.15; 402.20] | K |
|
| Tboil | 402.20 | K | NIST |
| Tboil | 402.00 ± 3.00 | K | NIST |
| Tboil | 401.15 ± 1.00 | K | NIST |
| Tboil | 401.65 ± 1.00 | K | NIST |
| Tboil | 400.15 ± 2.00 | K | NIST |
| Tboil | 401.17 ± 0.30 | K | NIST |
| Tc | 578.14 | K | Relay (1.0) Calculated Property |
| Tfus | 155.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.302 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.74; 296.49] | 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 | 1.95200e+00 | |||
| Coefficient B | 5.18740e-01 | |||
| Coefficient C | -2.81800e-04 | |||
| Coefficient D | 5.76000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 123.74 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 152.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 178.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 202.32 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 223.24 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 241.83 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 258.27 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 272.73 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 285.42 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 296.49 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.3005917; 0.0003103] | Pa×s | [191.93; 399.73] |
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 | -1.44290e+01 | |||
| Coefficient B | 2.53865e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 191.93 | |||
| Temperature range, max. | 399.73 | |||
| η | 0.3005917 | Pa×s | 191.93 | Calculated Property |
| η | 0.0726353 | Pa×s | 215.02 | Calculated Property |
| η | 0.0231176 | Pa×s | 238.11 | Calculated Property |
| η | 0.0090082 | Pa×s | 261.20 | Calculated Property |
| η | 0.0040909 | Pa×s | 284.28 | Calculated Property |
| η | 0.0020917 | Pa×s | 307.37 | Calculated Property |
| η | 0.0011746 | Pa×s | 330.46 | Calculated Property |
| η | 0.0007112 | Pa×s | 353.55 | Calculated Property |
| η | 0.0004580 | Pa×s | 376.64 | Calculated Property |
| η | 0.0003103 | Pa×s | 399.73 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [307.84; 422.62] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.64817e+01 | |||
| Coefficient B | -4.13271e+03 | |||
| Coefficient C | -5.26420e+01 | |||
| Temperature range, min. | 307.84 | |||
| Temperature range, max. | 422.62 | |||
| Pvap | 1.33 | kPa | 307.84 | Calculated Property |
| Pvap | 2.88 | kPa | 320.59 | Calculated Property |
| Pvap | 5.81 | kPa | 333.35 | Calculated Property |
| Pvap | 11.01 | kPa | 346.10 | Calculated Property |
| Pvap | 19.80 | kPa | 358.85 | Calculated Property |
| Pvap | 33.96 | kPa | 371.61 | Calculated Property |
| Pvap | 55.88 | kPa | 384.36 | Calculated Property |
| Pvap | 88.63 | kPa | 397.11 | Calculated Property |
| Pvap | 136.02 | kPa | 409.87 | Calculated Property |
| Pvap | 202.67 | kPa | 422.62 | Calculated Property |
Similar Compounds
Find more compounds similar to 1-Butanol, 2-methyl-, (S)-.
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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