- InChI
- InChI=1S/C15H10O/c16-15-13(11-7-3-1-4-8-11)14(15)12-9-5-2-6-10-12/h1-10H
- InChI Key
- HCIBTBXNLVOFER-UHFFFAOYSA-N
- Formula
- C15H10O
- SMILES
- O=c1c(-c2ccccc2)c1-c1ccccc1
- Molecular Weight1
- 206.24
- CAS
- 886-38-4
- Other Names
-
- Cyclopropenone, diphenyl-
- Cyclopropenone, 2,3-diphenyl-
- Diphenylcyclopropenone
- 2,3-Diphenylcyclopropenone
- 2,3-Diphenyl-2-cyclopropen-1-one
- Diphencyprone
- DPC
- 2,3-diphenylcycloprop-2-en-1-one
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation at standard conditions (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5302 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -7562.00 ± 20.00 | kJ/mol | NIST |
| ΔcH°solid | [-7742.90; -7529.80] | kJ/mol |
|
| ΔcH°solid | -7529.80 ± 1.80 | kJ/mol | NIST |
| ΔcH°solid | -7742.90 | kJ/mol | NIST |
| ΔfG° | 141.18 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | [317.70; 552.30] | kJ/mol |
|
| ΔfH°gas | 317.70 ± 8.20 | kJ/mol | NIST |
| ΔfH°gas | 360.00 ± 20.00 | kJ/mol | NIST |
| ΔfH°gas | 552.30 | kJ/mol | NIST |
| ΔfH°solid | 198.00 ± 2.00 | kJ/mol | NIST |
| ΔsubH° | 119.70 ± 8.00 | kJ/mol | NIST |
| ΔvapH° | 89.30 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [8.47; 10.56] | eV |
|
| IE | 10.56 | eV | NIST |
| IE | 8.47 | eV | NIST |
| log10WS | -4.19 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.256 | Crippen Calculated Property | |
| McVol | 161.100 | ml/mol | McGowan Calculated Property |
| Pc | 2548.18 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 623.28 | K | Relay (1.0) Calculated Property |
| Tc | 900.77 | K | Relay (1.0) Calculated Property |
| Tfus | 405.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.617 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔsubH | [120.00; 141.00] | kJ/mol | [323.00; 365.50] |
|
| ΔsubH | 141.00 ± 4.20 | kJ/mol | 323.00 | NIST |
| ΔsubH | 141.00 ± 4.00 | kJ/mol | 333.00 | NIST |
| ΔsubH | 120.00 ± 8.00 | kJ/mol | 365.50 | NIST |
Similar Compounds
Find more compounds similar to 2-Cyclopropen-1-one, 2,3-diphenyl-.
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
- McGowan Method
- NIST Webbook
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