- InChI
- InChI=1S/C19H15NO2/c20-13-16-11-12-17(18(21)14-7-3-1-4-8-14)22-19(16)15-9-5-2-6-10-15/h1-10,17H,11-12H2
- InChI Key
- LIBZLYMICHBNOW-UHFFFAOYSA-N
- Formula
- C19H15NO2
- SMILES
-
N#CC1=C(c2ccccc2)OC(C(=O)c2ccc
cc2)CC1 - Molecular Weight1
- 289.33
- 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).
- 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° | 287.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 47.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.22 | kJ/mol | Joback Calculated Property |
| log10WS | -5.32 | Crippen Calculated Property | |
| logPoct/wat | 3.983 | Crippen Calculated Property | |
| McVol | 224.710 | ml/mol | McGowan Calculated Property |
| Pc | 2183.60 | kPa | Joback Calculated Property |
| Tboil | 899.05 | K | Joback Calculated Property |
| Tc | 1165.87 | K | Joback Calculated Property |
| Tfus | 531.40 | K | Joback Calculated Property |
| Vc | 0.856 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [668.08; 726.01] | J/mol×K | [899.05; 1165.87] | 
|
| Cp,gas | 668.08 | J/mol×K | 899.05 | Joback Calculated Property |
| Cp,gas | 680.94 | J/mol×K | 943.52 | Joback Calculated Property |
| Cp,gas | 692.36 | J/mol×K | 987.99 | Joback Calculated Property |
| Cp,gas | 702.48 | J/mol×K | 1032.46 | Joback Calculated Property |
| Cp,gas | 711.38 | J/mol×K | 1076.93 | Joback Calculated Property |
| Cp,gas | 719.19 | J/mol×K | 1121.40 | Joback Calculated Property |
| Cp,gas | 726.01 | J/mol×K | 1165.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Carbophenyl-5-cyano-6-phenyl-2,3-dihydro-1,4-pyran.
Sources
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