- InChI
- InChI=1S/C27H42O5/c1-16(6-9-24(30)31-5)20-7-8-21-25-22(11-13-27(20,21)4)26(3)12-10-19(32-17(2)28)14-18(26)15-23(25)29/h16,18-22,25H,6-15H2,1-5H3/t16-,18+,19-,20-,21+,22+,25+,26+,27-/m0/s1
- InChI Key
- IOBLILNCUSICGD-AWWQQTNVSA-N
- Formula
- C27H42O5
- SMILES
-
COC(=O)CCC(C)C1CCC2C3C(=O)CC4C
C(OC(C)=O)CCC4(C)C3CCC12C - Molecular Weight1
- 446.62
- CAS
- 10452-65-0
- 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 | 0.7439 | Relay (1.0) Calculated Property | |
| ΔfG° | -275.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1099.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 139.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.345 | Crippen Calculated Property | |
| McVol | 364.300 | ml/mol | McGowan Calculated Property |
| Pc | 1059.64 | kPa | Joback Calculated Property |
| Tboil | 697.97 | K | Relay (1.0) Calculated Property |
| Tc | 990.10 | K | Relay (1.0) Calculated Property |
| Tfus | 419.59 | K | Relay (1.0) Calculated Property |
| Vc | 1.293 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1448.82; 1660.94] | J/mol×K | [1067.23; 1312.03] | 
|
| Cp,gas | 1448.82 | J/mol×K | 1067.23 | Joback Calculated Property |
| Cp,gas | 1481.24 | J/mol×K | 1108.03 | Joback Calculated Property |
| Cp,gas | 1514.40 | J/mol×K | 1148.83 | Joback Calculated Property |
| Cp,gas | 1548.63 | J/mol×K | 1189.63 | Joback Calculated Property |
| Cp,gas | 1584.24 | J/mol×K | 1230.43 | Joback Calculated Property |
| Cp,gas | 1621.57 | J/mol×K | 1271.23 | Joback Calculated Property |
| Cp,gas | 1660.94 | J/mol×K | 1312.03 | Joback Calculated Property |
Similar Compounds
Sources
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