- InChI
- InChI=1S/C28H36O5/c1-2-3-4-5-6-7-8-9-13-22-31-27(29)20-21-28(30)32-23-24-16-18-26(19-17-24)33-25-14-11-10-12-15-25/h10-12,14-21H,2-9,13,22-23H2,1H3/b21-20+
- InChI Key
- XGCKOFXLMNEWMM-QZQOTICOSA-N
- Formula
- C28H36O5
- SMILES
-
CCCCCCCCCCCOC(=O)C=CC(=O)OCc1c
cc(Oc2ccccc2)cc1 - Molecular Weight1
- 452.58
- 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 | 1.1975 | Relay (1.0) Calculated Property | |
| ΔfG° | -92.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -794.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 62.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 136.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.152 | Crippen Calculated Property | |
| McVol | 374.310 | ml/mol | McGowan Calculated Property |
| Pc | 1019.43 | kPa | Joback Calculated Property |
| Inp | 3504.00 | NIST | |
| Tboil | 725.44 | K | Relay (1.0) Calculated Property |
| Tc | 953.96 | K | Relay (1.0) Calculated Property |
| Tfus | 310.07 | K | Relay (1.0) Calculated Property |
| Vc | 1.361 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1257.82; 1317.32] | J/mol×K | [1077.54; 1319.33] | 
|
| Cp,gas | 1257.82 | J/mol×K | 1077.54 | Joback Calculated Property |
| Cp,gas | 1271.47 | J/mol×K | 1117.84 | Joback Calculated Property |
| Cp,gas | 1283.51 | J/mol×K | 1158.14 | Joback Calculated Property |
| Cp,gas | 1294.03 | J/mol×K | 1198.43 | Joback Calculated Property |
| Cp,gas | 1303.12 | J/mol×K | 1238.73 | Joback Calculated Property |
| Cp,gas | 1310.85 | J/mol×K | 1279.03 | Joback Calculated Property |
| Cp,gas | 1317.32 | J/mol×K | 1319.33 | Joback Calculated Property |
| η | [0.0000113; 0.0001348] | Pa×s | [632.15; 1077.54] |
|
| η | 0.0001348 | Pa×s | 632.15 | Joback Calculated Property |
| η | 0.0000717 | Pa×s | 706.38 | Joback Calculated Property |
| η | 0.0000430 | Pa×s | 780.61 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 854.85 | Joback Calculated Property |
| η | 0.0000198 | Pa×s | 929.08 | Joback Calculated Property |
| η | 0.0000146 | Pa×s | 1003.31 | Joback Calculated Property |
| η | 0.0000113 | Pa×s | 1077.54 | Joback Calculated Property |
Similar Compounds
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Sources
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