- InChI
- InChI=1S/C24H34O4/c1-14(25)27-17-8-10-23(2)16(13-17)5-6-18-19(23)9-11-24(3)20(18)12-15-4-7-21(26)28-22(15)24/h5,15,17-20,22H,4,6-13H2,1-3H3
- InChI Key
- WXHAZWBPLJCITK-UHFFFAOYSA-N
- Formula
- C24H34O4
- SMILES
-
CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(
C)C3CC3CCC(=O)OC32)C1 - Molecular Weight1
- 386.52
- CAS
- 96465-15-5
- ω : Acentric Factor.
- 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 |
|---|---|---|---|
| ω | 0.5956 | Relay (... Calculated Property | |
| ΔfG° | -74.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -832.43 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 37.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 132.46 | kJ/mol | Relay (... Calculated Property |
| IE | 8.36 | eV | Relay (... Calculated Property |
| log10WS | -5.14 | Relay (... Calculated Property | |
| logPoct/wat | 4.813 | Crippen Calculated Property | |
| McVol | 305.300 | ml/mol | McGowan Calculated Property |
| Pc | 1436.98 | kPa | Joback Calculated Property |
| Tboil | 709.41 | K | Relay (... Calculated Property |
| Tc | 982.33 | K | Relay (... Calculated Property |
| Tfus | 418.66 | K | Relay (... Calculated Property |
| Vc | 1.118 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1171.35; 1371.70] | J/mol×K | [969.51; 1222.02] | 
|
| Cp,gas | 1171.35 | J/mol×K | 969.51 | Joback Calculated Property |
| Cp,gas | 1201.77 | J/mol×K | 1011.60 | Joback Calculated Property |
| Cp,gas | 1232.84 | J/mol×K | 1053.68 | Joback Calculated Property |
| Cp,gas | 1264.97 | J/mol×K | 1095.77 | Joback Calculated Property |
| Cp,gas | 1298.55 | J/mol×K | 1137.85 | Joback Calculated Property |
| Cp,gas | 1333.99 | J/mol×K | 1179.94 | Joback Calculated Property |
| Cp,gas | 1371.70 | J/mol×K | 1222.02 | Joback Calculated Property |
Similar Compounds
Sources
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