- InChI
- InChI=1S/C27H34O5/c1-2-3-4-5-6-7-8-12-21-30-26(28)19-20-27(29)31-22-23-15-17-25(18-16-23)32-24-13-10-9-11-14-24/h9-11,13-20H,2-8,12,21-22H2,1H3/b20-19+
- InChI Key
- GDZPDSXGXXNUKJ-FMQUCBEESA-N
- Formula
- C27H34O5
- SMILES
-
CCCCCCCCCCOC(=O)C=CC(=O)OCc1cc
c(Oc2ccccc2)cc1 - Molecular Weight1
- 438.56
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -100.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -643.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.59 | kJ/mol | Joback Calculated Property |
| log10WS | -7.42 | Crippen Calculated Property | |
| logPoct/wat | 6.762 | Crippen Calculated Property | |
| McVol | 360.220 | ml/mol | McGowan Calculated Property |
| Pc | 1084.92 | kPa | Joback Calculated Property |
| Inp | 3352.00 | NIST | |
| Tboil | 1054.66 | K | Joback Calculated Property |
| Tc | 1291.37 | K | Joback Calculated Property |
| Tfus | 620.88 | K | Joback Calculated Property |
| Vc | 1.377 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1196.59; 1256.29] | J/mol×K | [1054.66; 1291.37] | 
|
| Cp,gas | 1196.59 | J/mol×K | 1054.66 | Joback Calculated Property |
| Cp,gas | 1210.14 | J/mol×K | 1094.11 | Joback Calculated Property |
| Cp,gas | 1222.14 | J/mol×K | 1133.56 | Joback Calculated Property |
| Cp,gas | 1232.69 | J/mol×K | 1173.02 | Joback Calculated Property |
| Cp,gas | 1241.84 | J/mol×K | 1212.47 | Joback Calculated Property |
| Cp,gas | 1249.69 | J/mol×K | 1251.92 | Joback Calculated Property |
| Cp,gas | 1256.29 | J/mol×K | 1291.37 | Joback Calculated Property |
| η | [0.0000131; 0.0001527] | Pa×s | [620.88; 1054.66] |
|
| η | 0.0001527 | Pa×s | 620.88 | Joback Calculated Property |
| η | 0.0000820 | Pa×s | 693.18 | Joback Calculated Property |
| η | 0.0000495 | Pa×s | 765.47 | Joback Calculated Property |
| η | 0.0000326 | Pa×s | 837.77 | Joback Calculated Property |
| η | 0.0000229 | Pa×s | 910.07 | Joback Calculated Property |
| η | 0.0000170 | Pa×s | 982.36 | Joback Calculated Property |
| η | 0.0000131 | Pa×s | 1054.66 | Joback Calculated Property |
Similar Compounds
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Sources
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