- InChI
- InChI=1S/C5H12O/c1-4(2)5(3)6/h4-6H,1-3H3/t5-/m1/s1
- InChI Key
- MXLMTQWGSQIYOW-RXMQYKEDSA-N
- Formula
- C5H12O
- SMILES
- CC(C)C(C)O
- Molecular Weight1
- 88.15
- CAS
- 1517-66-4
- Other Names
-
- (S)-(+)-3-Methyl-2-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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.5235 | Relay (1.0) Calculated Property | |
| ΔfG° | -150.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -334.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 5.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.28 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.023 | Crippen Calculated Property | |
| McVol | 87.180 | ml/mol | McGowan Calculated Property |
| Pc | 3955.54 | kPa | Joback Calculated Property |
| Tboil | 379.97 | K | Relay (1.0) Calculated Property |
| Tc | 548.97 | K | Relay (1.0) Calculated Property |
| Tfus | 211.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.323 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 385.20 | K | 97.90 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.42; 297.03] | 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 | 2.70000e-01 | |||
| Coefficient B | 5.24660e-01 | |||
| Coefficient C | -2.85000e-04 | |||
| Coefficient D | 5.71000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 123.42 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 152.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 179.13 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 202.77 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 223.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 242.53 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 259.02 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 273.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 286.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 297.03 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.9991270; 0.0002876] | Pa×s | [176.93; 402.02] |
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 | -1.45630e+01 | |||
| Coefficient B | 2.57647e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 176.93 | |||
| Temperature range, max. | 402.02 | |||
| η | 0.9991270 | Pa×s | 176.93 | Calculated Property |
| η | 0.1645824 | Pa×s | 201.94 | Calculated Property |
| η | 0.0403432 | Pa×s | 226.95 | Calculated Property |
| η | 0.0130731 | Pa×s | 251.96 | Calculated Property |
| η | 0.0051924 | Pa×s | 276.97 | Calculated Property |
| η | 0.0024031 | Pa×s | 301.98 | Calculated Property |
| η | 0.0012513 | Pa×s | 326.99 | Calculated Property |
| η | 0.0007149 | Pa×s | 352.00 | Calculated Property |
| η | 0.0004399 | Pa×s | 377.01 | Calculated Property |
| η | 0.0002876 | Pa×s | 402.02 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Butanol, 3-methyl-, (S)-.
Sources
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