- InChI
- InChI=1S/C6H12O2/c1-6(2-4-7)3-5-8/h2,7-8H,3-5H2,1H3/b6-2+
- InChI Key
- TWUDHDJKTHYMGY-QHHAFSJGSA-N
- Formula
- C6H12O2
- SMILES
- CC(=CCO)CCO
- Molecular Weight1
- 116.16
- Other Names
-
- 3-Methyl-1,5-pentenediol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- I : Polar retention indices.
- 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° | -202.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.35 | kJ/mol | Joback Calculated Property |
| log10WS | -0.71 | Crippen Calculated Property | |
| logPoct/wat | 0.307 | Crippen Calculated Property | |
| McVol | 102.840 | ml/mol | McGowan Calculated Property |
| Pc | 4146.27 | kPa | Joback Calculated Property |
| I | 1558.00 | NIST | |
| Tboil | 525.08 | K | Joback Calculated Property |
| Tc | 691.14 | K | Joback Calculated Property |
| Tfus | 259.98 | K | Joback Calculated Property |
| Vc | 0.391 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [236.34; 279.36] | J/mol×K | [525.08; 691.14] | 
|
| Cp,gas | 236.34 | J/mol×K | 525.08 | Joback Calculated Property |
| Cp,gas | 244.36 | J/mol×K | 552.76 | Joback Calculated Property |
| Cp,gas | 252.02 | J/mol×K | 580.43 | Joback Calculated Property |
| Cp,gas | 259.33 | J/mol×K | 608.11 | Joback Calculated Property |
| Cp,gas | 266.31 | J/mol×K | 635.79 | Joback Calculated Property |
| Cp,gas | 272.98 | J/mol×K | 663.46 | Joback Calculated Property |
| Cp,gas | 279.36 | J/mol×K | 691.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methylpent-2-ene-1,5-diol.
Sources
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