- InChI
- InChI=1S/C20H28/c1-7-16(2)10-8-11-17(3)13-14-19-18(4)12-9-15-20(19,5)6/h7-8,10-14H,1,9,15H2,2-6H3/b11-8+,16-10+,17-13+,19-14+
- InChI Key
- FWNRILWHNGFAIN-SSHGZYQJSA-N
- Formula
- C20H28
- SMILES
-
C=CC(C)=CC=CC(C)=CC=C1C(C)=CCC
C1(C)C - Molecular Weight1
- 268.44
- 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).
- Inp : Non-polar retention indices.
- 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° | 513.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 193.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.50 | kJ/mol | Joback Calculated Property |
| log10WS | -6.97 | Crippen Calculated Property | |
| logPoct/wat | 6.314 | Crippen Calculated Property | |
| McVol | 256.000 | ml/mol | McGowan Calculated Property |
| Pc | 1445.73 | kPa | Joback Calculated Property |
| Inp | 2233.00 | NIST | |
| Tboil | 696.49 | K | Joback Calculated Property |
| Tc | 916.76 | K | Joback Calculated Property |
| Tfus | 325.16 | K | Joback Calculated Property |
| Vc | 0.979 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [698.85; 813.12] | J/mol×K | [696.49; 916.76] | 
|
| Cp,gas | 698.85 | J/mol×K | 696.49 | Joback Calculated Property |
| Cp,gas | 719.61 | J/mol×K | 733.20 | Joback Calculated Property |
| Cp,gas | 739.42 | J/mol×K | 769.91 | Joback Calculated Property |
| Cp,gas | 758.47 | J/mol×K | 806.62 | Joback Calculated Property |
| Cp,gas | 776.97 | J/mol×K | 843.33 | Joback Calculated Property |
| Cp,gas | 795.12 | J/mol×K | 880.05 | Joback Calculated Property |
| Cp,gas | 813.12 | J/mol×K | 916.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Anhydroretinol.
Sources
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