- InChI
- InChI=1S/C9H14O/c1-8(2)9(3)6-4-5-7-10/h4-5,7-8H,3,6H2,1-2H3/b5-4-
- InChI Key
- HVROQZAOTSHMKE-PLNGDYQASA-N
- Formula
- C9H14O
- SMILES
- C=C(CC=CC=O)C(C)C
- Molecular Weight1
- 138.21
- 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).
- Inp : Non-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° | 82.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -87.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.33 | kJ/mol | Joback Calculated Property |
| log10WS | -2.34 | Crippen Calculated Property | |
| logPoct/wat | 2.344 | Crippen Calculated Property | |
| McVol | 130.640 | ml/mol | McGowan Calculated Property |
| Pc | 2767.17 | kPa | Joback Calculated Property |
| Inp | 1175.00 | NIST | |
| Tboil | 454.26 | K | Joback Calculated Property |
| Tc | 643.08 | K | Joback Calculated Property |
| Tfus | 197.39 | K | Joback Calculated Property |
| Vc | 0.512 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.91; 333.58] | J/mol×K | [454.26; 643.08] | 
|
| Cp,gas | 265.91 | J/mol×K | 454.26 | Joback Calculated Property |
| Cp,gas | 278.76 | J/mol×K | 485.73 | Joback Calculated Property |
| Cp,gas | 290.95 | J/mol×K | 517.20 | Joback Calculated Property |
| Cp,gas | 302.49 | J/mol×K | 548.67 | Joback Calculated Property |
| Cp,gas | 313.42 | J/mol×K | 580.14 | Joback Calculated Property |
| Cp,gas | 323.78 | J/mol×K | 611.61 | Joback Calculated Property |
| Cp,gas | 333.58 | J/mol×K | 643.08 | Joback Calculated Property |
Similar Compounds
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Sources
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