- 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
- 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 | 0.6710 | Relay (1.0) Calculated Property | |
| ΔfG° | -267.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -521.63 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.59 | Relay (1.0) 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 | 462.76 | K | Relay (1.0) Calculated Property |
| Tc | 645.13 | K | Relay (1.0) Calculated Property |
| Tfus | 311.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.443 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.30; 358.06] | J/mol×K | [540.01; 710.57] | 
|
| Cp,gas | 303.30 | J/mol×K | 540.01 | Joback Calculated Property |
| Cp,gas | 313.64 | J/mol×K | 568.44 | Joback Calculated Property |
| Cp,gas | 323.47 | J/mol×K | 596.86 | Joback Calculated Property |
| Cp,gas | 332.80 | J/mol×K | 625.29 | Joback Calculated Property |
| Cp,gas | 341.66 | J/mol×K | 653.71 | Joback Calculated Property |
| Cp,gas | 350.07 | J/mol×K | 682.14 | Joback Calculated Property |
| Cp,gas | 358.06 | J/mol×K | 710.57 | Joback Calculated Property |
| η | [0.0000513; 0.5265787] | Pa×s | [262.71; 540.01] |
|
| η | 0.5265787 | Pa×s | 262.71 | Joback Calculated Property |
| η | 0.0357206 | Pa×s | 308.93 | Joback Calculated Property |
| η | 0.0048810 | Pa×s | 355.14 | Joback Calculated Property |
| η | 0.0010548 | Pa×s | 401.36 | Joback Calculated Property |
| η | 0.0003128 | Pa×s | 447.58 | Joback Calculated Property |
| η | 0.0001165 | Pa×s | 493.79 | Joback Calculated Property |
| η | 0.0000513 | Pa×s | 540.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Pentanediol, 2,4-dimethyl-.
Sources
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