- InChI
- InChI=1S/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-25H,7-9,11-17H2,1-6H3/t19?,20-,22+,23?,24?,25?,27+,28-/m1/s1
- InChI Key
- OWKGVPXWOHLTSL-LAIDNRQRSA-N
- Formula
- C28H46O
- SMILES
-
CC(C)CCCC(C)C1CCC2C3=CCC4C(C)C
(=O)CCC4(C)C3CCC21C - Molecular Weight1
- 398.66
- 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° | 226.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -493.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.23 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.63 | kJ/mol | Joback Calculated Property |
| log10WS | -8.08 | Crippen Calculated Property | |
| logPoct/wat | 7.843 | Crippen Calculated Property | |
| McVol | 359.210 | ml/mol | McGowan Calculated Property |
| Pc | 977.78 | kPa | Joback Calculated Property |
| Inp | [3210.00; 3210.00] |
|
|
| Inp | 3210.00 | NIST | |
| Inp | 3210.00 | NIST | |
| Tboil | 945.90 | K | Joback Calculated Property |
| Tc | 1178.17 | K | Joback Calculated Property |
| Tfus | 546.06 | K | Joback Calculated Property |
| Vc | 1.365 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1347.42; 1549.16] | J/mol×K | [945.90; 1178.17] |
|
| Cp,gas | 1347.42 | J/mol×K | 945.90 | Joback Calculated Property |
| Cp,gas | 1379.45 | J/mol×K | 984.61 | Joback Calculated Property |
| Cp,gas | 1411.68 | J/mol×K | 1023.32 | Joback Calculated Property |
| Cp,gas | 1444.44 | J/mol×K | 1062.03 | Joback Calculated Property |
| Cp,gas | 1478.05 | J/mol×K | 1100.74 | Joback Calculated Property |
| Cp,gas | 1512.85 | J/mol×K | 1139.45 | Joback Calculated Property |
| Cp,gas | 1549.16 | J/mol×K | 1178.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Lophenone.
Sources
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