- InChI
- InChI=1S/C6H14O2/c1-3-4-6(8)5(2)7/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1
- InChI Key
- QCIYAEYRVFUFAP-WDSKDSINSA-N
- Formula
- C6H14O2
- SMILES
- CCCC(O)C(C)O
- Molecular Weight1
- 118.17
- CAS
- 22520-19-0
- 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° | -278.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -482.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.53 | kJ/mol | Joback Calculated Property |
| log10WS | -1.08 | Crippen Calculated Property | |
| logPoct/wat | 0.528 | Crippen Calculated Property | |
| McVol | 107.140 | ml/mol | McGowan Calculated Property |
| Pc | 3935.71 | kPa | Joback Calculated Property |
| Tboil | 520.16 | K | Joback Calculated Property |
| Tc | 683.21 | K | Joback Calculated Property |
| Tfus | 294.85 ± 0.30 | K | NIST |
| Vc | 0.398 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [255.68; 303.74] | J/mol×K | [520.16; 683.21] | 
|
| Cp,gas | 255.68 | J/mol×K | 520.16 | Joback Calculated Property |
| Cp,gas | 264.55 | J/mol×K | 547.34 | Joback Calculated Property |
| Cp,gas | 273.06 | J/mol×K | 574.51 | Joback Calculated Property |
| Cp,gas | 281.23 | J/mol×K | 601.69 | Joback Calculated Property |
| Cp,gas | 289.05 | J/mol×K | 628.86 | Joback Calculated Property |
| Cp,gas | 296.56 | J/mol×K | 656.04 | Joback Calculated Property |
| Cp,gas | 303.74 | J/mol×K | 683.21 | Joback Calculated Property |
| η | [0.0000701; 0.6867154] | Pa×s | [249.02; 520.16] |
|
| η | 0.6867154 | Pa×s | 249.02 | Joback Calculated Property |
| η | 0.0457867 | Pa×s | 294.21 | Joback Calculated Property |
| η | 0.0062787 | Pa×s | 339.40 | Joback Calculated Property |
| η | 0.0013734 | Pa×s | 384.59 | Joback Calculated Property |
| η | 0.0004135 | Pa×s | 429.78 | Joback Calculated Property |
| η | 0.0001565 | Pa×s | 474.97 | Joback Calculated Property |
| η | 0.0000701 | Pa×s | 520.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (SS)- or (RR)-2,3-hexanediol.
Sources
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