- InChI
- InChI=1S/C24H36O2/c1-7-10-23(25)26-18-16-20(3)12-8-11-19(2)14-15-22-21(4)13-9-17-24(22,5)6/h8,11-12,14-16H,7,9-10,13,17-18H2,1-6H3/b12-8+,15-14+,19-11+,20-16+
- InChI Key
- MSHMSHDEYSUBDL-GTHIKWOPSA-N
- Formula
- C24H36O2
- SMILES
-
CCCC(=O)OCC=C(C)C=CC=C(C)C=CC1
=C(C)CCCC1(C)C - Molecular Weight1
- 356.54
- 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 | 0.6152 | Relay (1.0) Calculated Property | |
| ΔfG° | 250.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -455.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.861 | Crippen Calculated Property | |
| McVol | 324.100 | ml/mol | McGowan Calculated Property |
| Pc | 1109.63 | kPa | Joback Calculated Property |
| Inp | [2738.00; 2738.00] |
|
|
| Inp | 2738.00 | NIST | |
| Inp | 2738.00 | NIST | |
| Inp | 2738.00 | NIST | |
| Tboil | 620.46 | K | Relay (1.0) Calculated Property |
| Tc | 829.81 | K | Relay (1.0) Calculated Property |
| Tfus | 350.73 | K | Relay (1.0) Calculated Property |
| Vc | 1.091 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1019.56; 1148.33] | J/mol×K | [870.12; 1085.31] |
|
| Cp,gas | 1019.56 | J/mol×K | 870.12 | Joback Calculated Property |
| Cp,gas | 1041.37 | J/mol×K | 905.98 | Joback Calculated Property |
| Cp,gas | 1062.79 | J/mol×K | 941.85 | Joback Calculated Property |
| Cp,gas | 1084.01 | J/mol×K | 977.71 | Joback Calculated Property |
| Cp,gas | 1105.22 | J/mol×K | 1013.58 | Joback Calculated Property |
| Cp,gas | 1126.60 | J/mol×K | 1049.44 | Joback Calculated Property |
| Cp,gas | 1148.33 | J/mol×K | 1085.31 | Joback Calculated Property |
Similar Compounds
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Sources
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