- InChI
- InChI=1S/C27H38O4/c1-4-7-8-9-10-11-12-15-21-30-25(28)27(5-2,6-3)26(29)31-24-20-16-18-22-17-13-14-19-23(22)24/h13-14,16-20H,4-12,15,21H2,1-3H3
- InChI Key
- KTAFMWSPZDQDMW-UHFFFAOYSA-N
- Formula
- C27H38O4
- SMILES
-
CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)
Oc1cccc2ccccc12 - Molecular Weight1
- 426.59
- 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° | -79.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -682.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.29 | kJ/mol | Joback Calculated Property |
| log10WS | -8.49 | Crippen Calculated Property | |
| logPoct/wat | 7.235 | Crippen Calculated Property | |
| McVol | 362.950 | ml/mol | McGowan Calculated Property |
| Pc | 1015.53 | kPa | Joback Calculated Property |
| Inp | 3014.00 | NIST | |
| Tboil | 1017.15 | K | Joback Calculated Property |
| Tc | 1245.65 | K | Joback Calculated Property |
| Tfus | 612.43 | K | Joback Calculated Property |
| Vc | 1.399 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1224.23; 1307.66] | J/mol×K | [1017.15; 1245.65] | 
|
| Cp,gas | 1224.23 | J/mol×K | 1017.15 | Joback Calculated Property |
| Cp,gas | 1240.62 | J/mol×K | 1055.23 | Joback Calculated Property |
| Cp,gas | 1255.87 | J/mol×K | 1093.32 | Joback Calculated Property |
| Cp,gas | 1270.09 | J/mol×K | 1131.40 | Joback Calculated Property |
| Cp,gas | 1283.39 | J/mol×K | 1169.49 | Joback Calculated Property |
| Cp,gas | 1295.87 | J/mol×K | 1207.57 | Joback Calculated Property |
| Cp,gas | 1307.66 | J/mol×K | 1245.65 | Joback Calculated Property |
| η | [0.0000310; 0.0003046] | Pa×s | [612.43; 1017.15] |
|
| η | 0.0003046 | Pa×s | 612.43 | Joback Calculated Property |
| η | 0.0001724 | Pa×s | 679.88 | Joback Calculated Property |
| η | 0.0001081 | Pa×s | 747.34 | Joback Calculated Property |
| η | 0.0000732 | Pa×s | 814.79 | Joback Calculated Property |
| η | 0.0000527 | Pa×s | 882.24 | Joback Calculated Property |
| η | 0.0000397 | Pa×s | 949.70 | Joback Calculated Property |
| η | 0.0000310 | Pa×s | 1017.15 | Joback Calculated Property |
Similar Compounds
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Sources
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