- 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).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔcH°liquid | -5307.80 ± 1.50 | kJ/mol | NIST |
| ΔfH°gas | -16.21 | kJ/mol | Relay (1.0) 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 |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.133 | Crippen Calculated Property | |
| McVol | 118.710 | ml/mol | McGowan Calculated Property |
| Tboil | 508.48 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.40; 397.36] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.90400e+01 | |||
| Coefficient B | 8.47900e-01 | |||
| Coefficient C | -4.81200e-04 | |||
| Coefficient D | 8.97000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 138.40 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 184.67 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 225.91 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 262.40 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 294.41 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 322.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 346.16 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 366.47 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 383.44 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 397.36 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 3-Phenylcyclobutanone.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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