- InChI
- InChI=1S/C6H14O/c1-4-5(2)6(3)7/h5-7H,4H2,1-3H3/t5-,6-/m0/s1
- InChI Key
- ZXNBBWHRUSXUFZ-PHDIDXHHSA-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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [207.88; 262.84] | J/mol×K | [428.18; 596.39] | 
|
| Cp,gas | 207.88 | J/mol×K | 428.18 | Joback Calculated Property |
| Cp,gas | 217.97 | J/mol×K | 456.21 | Joback Calculated Property |
| Cp,gas | 227.68 | J/mol×K | 484.25 | Joback Calculated Property |
| Cp,gas | 237.01 | J/mol×K | 512.28 | Joback Calculated Property |
| Cp,gas | 245.97 | J/mol×K | 540.32 | Joback Calculated Property |
| Cp,gas | 254.58 | J/mol×K | 568.35 | Joback Calculated Property |
| Cp,gas | 262.84 | J/mol×K | 596.39 | Joback Calculated Property |
| η | [0.0002301; 0.6544822] | Pa×s | [188.20; 428.18] |
|
| η | 0.6544822 | Pa×s | 188.20 | Joback Calculated Property |
| η | 0.0544159 | Pa×s | 228.20 | Joback Calculated Property |
| η | 0.0095002 | Pa×s | 268.19 | Joback Calculated Property |
| η | 0.0026091 | Pa×s | 308.19 | Joback Calculated Property |
| η | 0.0009642 | Pa×s | 348.19 | Joback Calculated Property |
| η | 0.0004375 | Pa×s | 388.18 | Joback Calculated Property |
| η | 0.0002301 | Pa×s | 428.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Threo-3-methylpentan-2-ol.
Sources
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