- InChI
- InChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3/t5-,6-/m0/s1
- InChI Key
- ZXNBBWHRUSXUFZ-WDSKDSINSA-N
- Formula
- C6H14O
- SMILES
- CC[C@H](C)[C@H](C)O
- Molecular Weight1
- 102.18
- 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).
- 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 | 0.5021 | Relay (1.0) Calculated Property | |
| ΔfG° | -142.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -356.11 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.23 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.413 | Crippen Calculated Property | |
| McVol | 101.270 | ml/mol | McGowan Calculated Property |
| Pc | 3517.91 | kPa | Joback Calculated Property |
| Tboil | 409.07 | K | Relay (1.0) Calculated Property |
| Tc | 566.88 | K | Relay (1.0) Calculated Property |
| Tfus | 245.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.386 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [144.64; 348.62] | 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 | -6.39000e-01 | |||
| Coefficient B | 6.19660e-01 | |||
| Coefficient C | -3.39400e-04 | |||
| Coefficient D | 6.90000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 144.64 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 179.16 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 210.21 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 238.00 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 262.76 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 284.70 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 304.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 320.99 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 335.78 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 348.62 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.6544822; 0.0002700] | Pa×s | [188.20; 417.47] |
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 | -1.46143e+01 | |||
| Coefficient B | 2.67063e+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. | 188.20 | |||
| Temperature range, max. | 417.47 | |||
| η | 0.6544822 | Pa×s | 188.20 | Calculated Property |
| η | 0.1205492 | Pa×s | 213.67 | Calculated Property |
| η | 0.0318390 | Pa×s | 239.15 | Calculated Property |
| η | 0.0108662 | Pa×s | 264.62 | Calculated Property |
| η | 0.0044791 | Pa×s | 290.10 | Calculated Property |
| η | 0.0021303 | Pa×s | 315.57 | Calculated Property |
| η | 0.0011322 | Pa×s | 341.05 | Calculated Property |
| η | 0.0006570 | Pa×s | 366.52 | Calculated Property |
| η | 0.0004092 | Pa×s | 392.00 | Calculated Property |
| η | 0.0002700 | Pa×s | 417.47 | Calculated Property |
Similar Compounds
Find more compounds similar to Threo-3-methylpentan-2-ol.
Sources
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