- InChI
- InChI=1S/C23H36O3/c1-4-5-21(25)26-20-9-8-18-17-7-6-15-14-16(24)10-12-22(15,2)19(17)11-13-23(18,20)3/h15,17-20H,4-14H2,1-3H3/t15-,17?,18?,19?,20+,22-,23-/m1/s1
- InChI Key
- RRZYEXJGOQLDMJ-MKZMUEDKSA-N
- Formula
- C23H36O3
- SMILES
-
CCCC(=O)OC1CCC2C3CCC4CC(=O)CCC
4(C)C3CCC12C - Molecular Weight1
- 360.53
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6445 | Relay (... Calculated Property | |
| ΔfG° | -65.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -729.99 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 30.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.94 | kJ/mol | Relay (... Calculated Property |
| IE | 8.84 | eV | Relay (... Calculated Property |
| log10WS | -5.38 | Relay (... Calculated Property | |
| logPoct/wat | 5.310 | Crippen Calculated Property | |
| McVol | 300.500 | ml/mol | McGowan Calculated Property |
| Pc | 1362.64 | kPa | Joback Calculated Property |
| Inp | 2777.05 | NIST | |
| Tboil | 663.81 | K | Relay (... Calculated Property |
| Tc | 949.51 | K | Relay (... Calculated Property |
| Tfus | 389.20 | K | Relay (... Calculated Property |
| Vc | 1.081 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1106.74; 1283.39] | J/mol×K | [904.53; 1143.14] | 
|
| Cp,gas | 1106.74 | J/mol×K | 904.53 | Joback Calculated Property |
| Cp,gas | 1135.18 | J/mol×K | 944.30 | Joback Calculated Property |
| Cp,gas | 1163.60 | J/mol×K | 984.07 | Joback Calculated Property |
| Cp,gas | 1192.31 | J/mol×K | 1023.83 | Joback Calculated Property |
| Cp,gas | 1221.63 | J/mol×K | 1063.60 | Joback Calculated Property |
| Cp,gas | 1251.89 | J/mol×K | 1103.37 | Joback Calculated Property |
| Cp,gas | 1283.39 | J/mol×K | 1143.14 | Joback Calculated Property |
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Sources
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