- InChI
- InChI=1S/C29H46O4/c1-2-3-4-5-6-9-12-18-25-32-28(30)23-16-10-7-8-11-17-24-29(31)33-26-19-22-27-20-14-13-15-21-27/h13-15,19-22H,2-12,16-18,23-26H2,1H3/b22-19+
- InChI Key
- AGHOMVBRWVWVJI-ZBJSNUHESA-N
- Formula
- C29H46O4
- SMILES
-
CCCCCCCCCCOC(=O)CCCCCCCCC(=O)O
CC=Cc1ccccc1 - Molecular Weight1
- 458.67
- 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° | -81.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -777.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 70.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.69 | kJ/mol | Joback Calculated Property |
| log10WS | -8.81 | Crippen Calculated Property | |
| logPoct/wat | 8.048 | Crippen Calculated Property | |
| McVol | 406.290 | ml/mol | McGowan Calculated Property |
| Pc | 803.88 | kPa | Joback Calculated Property |
| Inp | 3535.00 | NIST | |
| Tboil | 1046.34 | K | Joback Calculated Property |
| Tc | 1287.17 | K | Joback Calculated Property |
| Tfus | 582.25 | K | Joback Calculated Property |
| Vc | 1.579 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1405.04; 1494.78] | J/mol×K | [1046.34; 1287.17] | 
|
| Cp,gas | 1405.04 | J/mol×K | 1046.34 | Joback Calculated Property |
| Cp,gas | 1423.66 | J/mol×K | 1086.48 | Joback Calculated Property |
| Cp,gas | 1440.67 | J/mol×K | 1126.62 | Joback Calculated Property |
| Cp,gas | 1456.18 | J/mol×K | 1166.75 | Joback Calculated Property |
| Cp,gas | 1470.30 | J/mol×K | 1206.89 | Joback Calculated Property |
| Cp,gas | 1483.13 | J/mol×K | 1247.03 | Joback Calculated Property |
| Cp,gas | 1494.78 | J/mol×K | 1287.17 | Joback Calculated Property |
| η | [0.0000123; 0.0002195] | Pa×s | [582.25; 1046.34] |
|
| η | 0.0002195 | Pa×s | 582.25 | Joback Calculated Property |
| η | 0.0001024 | Pa×s | 659.60 | Joback Calculated Property |
| η | 0.0000560 | Pa×s | 736.95 | Joback Calculated Property |
| η | 0.0000344 | Pa×s | 814.29 | Joback Calculated Property |
| η | 0.0000230 | Pa×s | 891.64 | Joback Calculated Property |
| η | 0.0000164 | Pa×s | 968.99 | Joback Calculated Property |
| η | 0.0000123 | Pa×s | 1046.34 | Joback Calculated Property |
Similar Compounds
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Sources
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