- InChI
- InChI=1S/C16H14O2/c17-15(11-13-7-3-1-4-8-13)12-16(18)14-9-5-2-6-10-14/h1-10,12,18H,11H2/b16-12-
- InChI Key
- GUHCMRKVXZWKCO-VBKFSLOCSA-N
- Formula
- C16H14O2
- SMILES
- O=C(C=C(O)c1ccccc1)Cc1ccccc1
- Molecular Weight1
- 238.28
- CAS
- 3442-15-7
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 114.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -57.89 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.23 | kJ/mol | Joback Calculated Property |
| IE | 8.36 | eV | NIST |
| log10WS | -3.85 | Crippen Calculated Property | |
| logPoct/wat | 3.397 | Crippen Calculated Property | |
| McVol | 191.920 | ml/mol | McGowan Calculated Property |
| Pc | 2829.33 | kPa | Joback Calculated Property |
| Tboil | 768.93 | K | Joback Calculated Property |
| Tc | 998.58 | K | Joback Calculated Property |
| Tfus | 414.63 | K | Joback Calculated Property |
| Vc | 0.722 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [521.68; 584.26] | J/mol×K | [768.93; 998.58] | 
|
| Cp,gas | 521.68 | J/mol×K | 768.93 | Joback Calculated Property |
| Cp,gas | 534.20 | J/mol×K | 807.21 | Joback Calculated Property |
| Cp,gas | 545.76 | J/mol×K | 845.48 | Joback Calculated Property |
| Cp,gas | 556.45 | J/mol×K | 883.76 | Joback Calculated Property |
| Cp,gas | 566.37 | J/mol×K | 922.03 | Joback Calculated Property |
| Cp,gas | 575.61 | J/mol×K | 960.31 | Joback Calculated Property |
| Cp,gas | 584.26 | J/mol×K | 998.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Butene-2-one-4-ol, 1,4-diphenyl-.
Sources
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