- InChI
- InChI=1S/C10H10O/c11-10-6-9(7-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
- InChI Key
- BVQSFCUGCAZOJQ-UHFFFAOYSA-N
- Formula
- C10H10O
- SMILES
- O=C1CC(c2ccccc2)C1
- Molecular Weight1
- 146.19
- CAS
- 52784-31-3
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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 |
|---|---|---|---|
| ΔcH°liquid | -5307.80 ± 1.50 | kJ/mol | NIST |
| ΔfG° | 71.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -84.26 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -56.57 | kJ/mol | NIST |
| ΔfusH° | 11.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.40 ± 0.80 | kJ/mol | NIST |
| log10WS | -2.25 | Crippen Calculated Property | |
| logPoct/wat | 2.133 | Crippen Calculated Property | |
| McVol | 118.710 | ml/mol | McGowan Calculated Property |
| Pc | 3642.13 | kPa | Joback Calculated Property |
| Tboil | 533.71 | K | Joback Calculated Property |
| Tc | 782.10 | K | Joback Calculated Property |
| Tfus | 311.52 | K | Joback Calculated Property |
| Vc | 0.444 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [270.06; 352.67] | J/mol×K | [533.71; 782.10] | 
|
| Cp,gas | 270.06 | J/mol×K | 533.71 | Joback Calculated Property |
| Cp,gas | 286.50 | J/mol×K | 575.11 | Joback Calculated Property |
| Cp,gas | 301.82 | J/mol×K | 616.51 | Joback Calculated Property |
| Cp,gas | 316.06 | J/mol×K | 657.90 | Joback Calculated Property |
| Cp,gas | 329.25 | J/mol×K | 699.30 | Joback Calculated Property |
| Cp,gas | 341.45 | J/mol×K | 740.70 | Joback Calculated Property |
| Cp,gas | 352.67 | J/mol×K | 782.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylcyclobutanone.
Sources
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