- InChI
- InChI=1S/C9H18O/c1-7(2)6-9(10-5)8(3)4/h6-8H,1-5H3/b9-6+
- InChI Key
- PYPPCCYSBRCXAF-RMKNXTFCSA-N
- Formula
- C9H18O
- SMILES
- COC(=CC(C)C)C(C)C
- Molecular Weight1
- 142.24
- CAS
- 66017-23-0
- 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).
- 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° | -13.31 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -264.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.30 | kJ/mol | Joback Calculated Property |
| log10WS | -2.54 | Crippen Calculated Property | |
| logPoct/wat | 2.829 | Crippen Calculated Property | |
| McVol | 139.240 | ml/mol | McGowan Calculated Property |
| Pc | 2436.25 | kPa | Joback Calculated Property |
| Tboil | 430.90 | K | Joback Calculated Property |
| Tc | 613.21 | K | Joback Calculated Property |
| Tfus | 164.38 | K | Joback Calculated Property |
| Vc | 0.526 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.59; 362.73] | J/mol×K | [430.90; 613.21] | 
|
| Cp,gas | 283.59 | J/mol×K | 430.90 | Joback Calculated Property |
| Cp,gas | 298.22 | J/mol×K | 461.28 | Joback Calculated Property |
| Cp,gas | 312.26 | J/mol×K | 491.67 | Joback Calculated Property |
| Cp,gas | 325.72 | J/mol×K | 522.05 | Joback Calculated Property |
| Cp,gas | 338.60 | J/mol×K | 552.44 | Joback Calculated Property |
| Cp,gas | 350.94 | J/mol×K | 582.82 | Joback Calculated Property |
| Cp,gas | 362.73 | J/mol×K | 613.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Hexene, 3-methoxy-2,5-dimethyl-, (E)-.
Sources
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