- InChI
- InChI=1S/C7H10O/c1-7(2)4-3-6(8)5-7/h3-4H,5H2,1-2H3
- InChI Key
- YVFVCSCZJJGBAK-UHFFFAOYSA-N
- Formula
- C7H10O
- SMILES
- CC1(C)C=CC(=O)C1
- Molecular Weight1
- 110.15
- CAS
- 22748-16-9
- 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° | -53.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -192.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 2.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.82 | kJ/mol | Joback Calculated Property |
| log10WS | -1.54 | Crippen Calculated Property | |
| logPoct/wat | 1.542 | Crippen Calculated Property | |
| McVol | 95.900 | ml/mol | McGowan Calculated Property |
| Pc | 3935.71 | kPa | Joback Calculated Property |
| I | 1511.00 | NIST | |
| Tboil | 431.20 | K | NIST |
| Tc | 669.24 | K | Joback Calculated Property |
| Tfus | 272.43 | K | Joback Calculated Property |
| Vc | 0.359 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [191.44; 260.90] | J/mol×K | [442.06; 669.24] | 
|
| Cp,gas | 191.44 | J/mol×K | 442.06 | Joback Calculated Property |
| Cp,gas | 205.04 | J/mol×K | 479.92 | Joback Calculated Property |
| Cp,gas | 217.69 | J/mol×K | 517.79 | Joback Calculated Property |
| Cp,gas | 229.51 | J/mol×K | 555.65 | Joback Calculated Property |
| Cp,gas | 240.59 | J/mol×K | 593.51 | Joback Calculated Property |
| Cp,gas | 251.02 | J/mol×K | 631.37 | Joback Calculated Property |
| Cp,gas | 260.90 | J/mol×K | 669.24 | Joback Calculated Property |
Similar Compounds
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)
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Sources
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