- InChI
- InChI=1S/C7H16O2/c1-5(2)6(8)7(3,4)9/h5-6,8-9H,1-4H3
- InChI Key
- GCQIRPJZONARRR-UHFFFAOYSA-N
- Formula
- C7H16O2
- SMILES
- CC(C)C(O)C(C)(C)O
- Molecular Weight1
- 132.20
- CAS
- 66225-53-4
- 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° | -267.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -511.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 7.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.46 | kJ/mol | Joback Calculated Property |
| log10WS | -1.26 | Crippen Calculated Property | |
| logPoct/wat | 0.774 | Crippen Calculated Property | |
| McVol | 121.230 | ml/mol | McGowan Calculated Property |
| Pc | 3581.35 | kPa | Joback Calculated Property |
| Tboil | 539.81 | K | Joback Calculated Property |
| Tc | 710.30 | K | Joback Calculated Property |
| Tfus | 262.71 | K | Joback Calculated Property |
| Vc | 0.443 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.23; 357.99] | J/mol×K | [539.81; 710.30] | 
|
| Cp,gas | 303.23 | J/mol×K | 539.81 | Joback Calculated Property |
| Cp,gas | 313.57 | J/mol×K | 568.23 | Joback Calculated Property |
| Cp,gas | 323.39 | J/mol×K | 596.64 | Joback Calculated Property |
| Cp,gas | 332.72 | J/mol×K | 625.06 | Joback Calculated Property |
| Cp,gas | 341.58 | J/mol×K | 653.47 | Joback Calculated Property |
| Cp,gas | 350.00 | J/mol×K | 681.89 | Joback Calculated Property |
| Cp,gas | 357.99 | J/mol×K | 710.30 | Joback Calculated Property |
| η | [0.0000515; 0.5265787] | Pa×s | [262.71; 539.81] |
|
| η | 0.5265787 | Pa×s | 262.71 | Joback Calculated Property |
| η | 0.0357796 | Pa×s | 308.89 | Joback Calculated Property |
| η | 0.0048932 | Pa×s | 355.08 | Joback Calculated Property |
| η | 0.0010579 | Pa×s | 401.26 | Joback Calculated Property |
| η | 0.0003138 | Pa×s | 447.44 | Joback Calculated Property |
| η | 0.0001168 | Pa×s | 493.63 | Joback Calculated Property |
| η | 0.0000515 | Pa×s | 539.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Pentanediol, 2,4-dimethyl-.
Sources
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