- InChI
- InChI=1S/C7H16O2/c1-3-4-5-7(2,9)6-8/h8-9H,3-6H2,1-2H3
- InChI Key
- BSJQMNIJQVVJPX-UHFFFAOYSA-N
- Formula
- C7H16O2
- SMILES
- CCCCC(C)(O)CO
- Molecular Weight1
- 132.20
- CAS
- 56255-50-6
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -262.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -501.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.24 | kJ/mol | Joback Calculated Property |
| log10WS | -1.39 | Crippen Calculated Property | |
| logPoct/wat | 0.920 | Crippen Calculated Property | |
| McVol | 121.230 | ml/mol | McGowan Calculated Property |
| Pc | 3513.74 | kPa | Joback Calculated Property |
| Tboil | 540.69 | K | Joback Calculated Property |
| Tc | 705.20 | K | Joback Calculated Property |
| Tfus | 292.71 | K | Joback Calculated Property |
| Vc | 0.455 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [302.55; 355.13] | J/mol×K | [540.69; 705.20] | 
|
| Cp,gas | 302.55 | J/mol×K | 540.69 | Joback Calculated Property |
| Cp,gas | 312.41 | J/mol×K | 568.11 | Joback Calculated Property |
| Cp,gas | 321.81 | J/mol×K | 595.53 | Joback Calculated Property |
| Cp,gas | 330.76 | J/mol×K | 622.94 | Joback Calculated Property |
| Cp,gas | 339.28 | J/mol×K | 650.36 | Joback Calculated Property |
| Cp,gas | 347.40 | J/mol×K | 677.78 | Joback Calculated Property |
| Cp,gas | 355.13 | J/mol×K | 705.20 | Joback Calculated Property |
| η | [0.0000577; 0.0841554] | Pa×s | [292.71; 540.69] |
|
| η | 0.0841554 | Pa×s | 292.71 | Joback Calculated Property |
| η | 0.0117921 | Pa×s | 334.04 | Joback Calculated Property |
| η | 0.0025471 | Pa×s | 375.37 | Joback Calculated Property |
| η | 0.0007456 | Pa×s | 416.70 | Joback Calculated Property |
| η | 0.0002724 | Pa×s | 458.03 | Joback Calculated Property |
| η | 0.0001176 | Pa×s | 499.36 | Joback Calculated Property |
| η | 0.0000577 | Pa×s | 540.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Hexanediol, 2-methyl-.
Sources
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