- InChI
- InChI=1S/C29H38O5/c1-2-3-4-5-6-7-8-9-10-14-23-32-28(30)21-22-29(31)33-24-25-17-19-27(20-18-25)34-26-15-12-11-13-16-26/h11-13,15-22H,2-10,14,23-24H2,1H3/b22-21+
- InChI Key
- KKDQGLCUBLUSHV-QURGRASLSA-N
- Formula
- C29H38O5
- SMILES
-
CCCCCCCCCCCCOC(=O)C=CC(=O)OCc1
ccc(Oc2ccccc2)cc1 - Molecular Weight1
- 466.61
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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 | 1.2368 | Relay (1.0) Calculated Property | |
| ΔfG° | -84.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -815.66 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 140.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.542 | Crippen Calculated Property | |
| McVol | 388.400 | ml/mol | McGowan Calculated Property |
| Pc | 959.69 | kPa | Joback Calculated Property |
| Inp | [3694.00; 3694.00] |
|
|
| Inp | 3694.00 | NIST | |
| Inp | 3694.00 | NIST | |
| Tboil | 732.05 | K | Relay (1.0) Calculated Property |
| Tc | 959.96 | K | Relay (1.0) Calculated Property |
| Tfus | 311.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.415 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1319.38; 1378.70] | J/mol×K | [1100.42; 1348.45] |
|
| Cp,gas | 1319.38 | J/mol×K | 1100.42 | Joback Calculated Property |
| Cp,gas | 1333.16 | J/mol×K | 1141.76 | Joback Calculated Property |
| Cp,gas | 1345.25 | J/mol×K | 1183.10 | Joback Calculated Property |
| Cp,gas | 1355.75 | J/mol×K | 1224.44 | Joback Calculated Property |
| Cp,gas | 1364.77 | J/mol×K | 1265.78 | Joback Calculated Property |
| Cp,gas | 1372.39 | J/mol×K | 1307.11 | Joback Calculated Property |
| Cp,gas | 1378.70 | J/mol×K | 1348.45 | Joback Calculated Property |
| η | [0.0000096; 0.0001187] | Pa×s | [643.42; 1100.42] |
|
| η | 0.0001187 | Pa×s | 643.42 | Joback Calculated Property |
| η | 0.0000626 | Pa×s | 719.59 | Joback Calculated Property |
| η | 0.0000373 | Pa×s | 795.75 | Joback Calculated Property |
| η | 0.0000243 | Pa×s | 871.92 | Joback Calculated Property |
| η | 0.0000170 | Pa×s | 948.09 | Joback Calculated Property |
| η | 0.0000125 | Pa×s | 1024.25 | Joback Calculated Property |
| η | 0.0000096 | Pa×s | 1100.42 | Joback Calculated Property |
Similar Compounds
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Sources
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