- InChI
- InChI=1S/C20H28O3/c1-19-9-7-14(22)11-13(19)3-4-15-16-5-6-18(23-12-21)20(16,2)10-8-17(15)19/h11-12,15-18H,3-10H2,1-2H3
- InChI Key
- LMUMOFOWZKACOU-UHFFFAOYSA-N
- Formula
- C20H28O3
- SMILES
-
CC12CCC(=O)C=C1CCC1C2CCC2(C)C(
OC=O)CCC12 - Molecular Weight1
- 316.43
- 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° | -33.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -515.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.04 | kJ/mol | Joback Calculated Property |
| log10WS | -4.67 | Crippen Calculated Property | |
| logPoct/wat | 4.060 | Crippen Calculated Property | |
| McVol | 253.930 | ml/mol | McGowan Calculated Property |
| Pc | 1801.56 | kPa | Joback Calculated Property |
| Inp | 2404.00 | NIST | |
| Tboil | 839.49 | K | Joback Calculated Property |
| Tc | 1087.32 | K | Joback Calculated Property |
| Tfus | 554.37 | K | Joback Calculated Property |
| Vc | 0.966 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [881.70; 1039.07] | J/mol×K | [839.49; 1087.32] | 
|
| Cp,gas | 881.70 | J/mol×K | 839.49 | Joback Calculated Property |
| Cp,gas | 907.20 | J/mol×K | 880.79 | Joback Calculated Property |
| Cp,gas | 932.52 | J/mol×K | 922.10 | Joback Calculated Property |
| Cp,gas | 958.02 | J/mol×K | 963.40 | Joback Calculated Property |
| Cp,gas | 984.04 | J/mol×K | 1004.71 | Joback Calculated Property |
| Cp,gas | 1010.95 | J/mol×K | 1046.01 | Joback Calculated Property |
| Cp,gas | 1039.07 | J/mol×K | 1087.32 | Joback Calculated Property |
Similar Compounds
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Sources
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