- InChI
- InChI=1S/C28H40O4/c1-2-3-4-5-6-7-8-9-10-13-21-31-27(29)17-14-18-28(30)32-23-24-19-20-25-15-11-12-16-26(25)22-24/h11-12,15-16,19-20,22H,2-10,13-14,17-18,21,23H2,1H3
- InChI Key
- CGJJYRXTVUNQJD-UHFFFAOYSA-N
- Formula
- C28H40O4
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCC(=O)OCc1
ccc2ccccc2c1 - Molecular Weight1
- 440.61
- 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° | -73.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -694.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.81 | kJ/mol | Joback Calculated Property |
| log10WS | -9.00 | Crippen Calculated Property | |
| logPoct/wat | 7.517 | Crippen Calculated Property | |
| McVol | 377.040 | ml/mol | McGowan Calculated Property |
| Pc | 945.00 | kPa | Joback Calculated Property |
| Inp | [3502.00; 3502.00] |
|
|
| Inp | 3502.00 | NIST | |
| Inp | 3502.00 | NIST | |
| Tboil | 1043.26 | K | Joback Calculated Property |
| Tc | 1278.22 | K | Joback Calculated Property |
| Tfus | 621.28 | K | Joback Calculated Property |
| Vc | 1.466 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1286.64; 1367.92] | J/mol×K | [1043.26; 1278.22] |
|
| Cp,gas | 1286.64 | J/mol×K | 1043.26 | Joback Calculated Property |
| Cp,gas | 1303.26 | J/mol×K | 1082.42 | Joback Calculated Property |
| Cp,gas | 1318.52 | J/mol×K | 1121.58 | Joback Calculated Property |
| Cp,gas | 1332.52 | J/mol×K | 1160.74 | Joback Calculated Property |
| Cp,gas | 1345.35 | J/mol×K | 1199.90 | Joback Calculated Property |
| Cp,gas | 1357.12 | J/mol×K | 1239.06 | Joback Calculated Property |
| Cp,gas | 1367.92 | J/mol×K | 1278.22 | Joback Calculated Property |
| η | [0.0000357; 0.0003202] | Pa×s | [621.28; 1043.26] |
|
| η | 0.0003202 | Pa×s | 621.28 | Joback Calculated Property |
| η | 0.0001845 | Pa×s | 691.61 | Joback Calculated Property |
| η | 0.0001177 | Pa×s | 761.94 | Joback Calculated Property |
| η | 0.0000810 | Pa×s | 832.27 | Joback Calculated Property |
| η | 0.0000591 | Pa×s | 902.60 | Joback Calculated Property |
| η | 0.0000451 | Pa×s | 972.93 | Joback Calculated Property |
| η | 0.0000357 | Pa×s | 1043.26 | Joback Calculated Property |
Similar Compounds
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Sources
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