- InChI
- InChI=1S/C29H40O5/c1-2-3-4-5-6-7-8-9-13-22-32-28(30)20-15-21-29(31)33-24-25-16-14-19-27(23-25)34-26-17-11-10-12-18-26/h10-12,14,16-19,23H,2-9,13,15,20-22,24H2,1H3
- InChI Key
- IVPKIHSQINMMEI-UHFFFAOYSA-N
- Formula
- C29H40O5
- SMILES
-
CCCCCCCCCCCOC(=O)CCCC(=O)OCc1c
ccc(Oc2ccccc2)c1 - Molecular Weight1
- 468.62
- 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° | -164.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -802.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.08 | kJ/mol | Joback Calculated Property |
| log10WS | -8.41 | Crippen Calculated Property | |
| logPoct/wat | 7.766 | Crippen Calculated Property | |
| McVol | 392.700 | ml/mol | McGowan Calculated Property |
| Pc | 929.51 | kPa | Joback Calculated Property |
| Inp | 3622.00 | NIST | |
| Tboil | 1096.26 | K | Joback Calculated Property |
| Tc | 1344.67 | K | Joback Calculated Property |
| Tfus | 648.50 | K | Joback Calculated Property |
| Vc | 1.510 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1348.42; 1401.74] | J/mol×K | [1096.26; 1344.67] | 
|
| Cp,gas | 1348.42 | J/mol×K | 1096.26 | Joback Calculated Property |
| Cp,gas | 1361.96 | J/mol×K | 1137.66 | Joback Calculated Property |
| Cp,gas | 1373.55 | J/mol×K | 1179.06 | Joback Calculated Property |
| Cp,gas | 1383.24 | J/mol×K | 1220.47 | Joback Calculated Property |
| Cp,gas | 1391.12 | J/mol×K | 1261.87 | Joback Calculated Property |
| Cp,gas | 1397.26 | J/mol×K | 1303.27 | Joback Calculated Property |
| Cp,gas | 1401.74 | J/mol×K | 1344.67 | Joback Calculated Property |
| η | [0.0000109; 0.0001285] | Pa×s | [648.50; 1096.26] |
|
| η | 0.0001285 | Pa×s | 648.50 | Joback Calculated Property |
| η | 0.0000689 | Pa×s | 723.13 | Joback Calculated Property |
| η | 0.0000415 | Pa×s | 797.75 | Joback Calculated Property |
| η | 0.0000273 | Pa×s | 872.38 | Joback Calculated Property |
| η | 0.0000192 | Pa×s | 947.01 | Joback Calculated Property |
| η | 0.0000142 | Pa×s | 1021.63 | Joback Calculated Property |
| η | 0.0000109 | Pa×s | 1096.26 | Joback Calculated Property |
Similar Compounds
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Sources
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