- InChI
- InChI=1S/C35H68O4/c1-4-7-9-10-11-12-13-14-15-16-17-18-21-24-28-32-38-34(36)30-26-22-19-20-23-27-31-35(37)39-33(6-3)29-25-8-5-2/h33H,4-32H2,1-3H3
- InChI Key
- SZNNMNOHVUFBQT-UHFFFAOYSA-N
- Formula
- C35H68O4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)CCCCCCC
CC(=O)OC(CC)CCCCC - Molecular Weight1
- 552.91
- 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° | -226.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1260.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 88.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 111.43 | kJ/mol | Joback Calculated Property |
| log10WS | -12.31 | Crippen Calculated Property | |
| logPoct/wat | 11.424 | Crippen Calculated Property | |
| McVol | 518.890 | ml/mol | McGowan Calculated Property |
| Pc | 498.69 | kPa | Joback Calculated Property |
| Inp | [3490.00; 3490.00] |
|
|
| Inp | 3490.00 | NIST | |
| Inp | 3490.00 | NIST | |
| Tboil | 1152.34 | K | Joback Calculated Property |
| Tc | 1512.06 | K | Joback Calculated Property |
| Tfus | 613.53 | K | Joback Calculated Property |
| Vc | 2.038 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1935.25; 2046.70] | J/mol×K | [1152.34; 1512.06] |
|
| Cp,gas | 1935.25 | J/mol×K | 1152.34 | Joback Calculated Property |
| Cp,gas | 1963.71 | J/mol×K | 1212.29 | Joback Calculated Property |
| Cp,gas | 1987.73 | J/mol×K | 1272.25 | Joback Calculated Property |
| Cp,gas | 2007.68 | J/mol×K | 1332.20 | Joback Calculated Property |
| Cp,gas | 2023.92 | J/mol×K | 1392.16 | Joback Calculated Property |
| Cp,gas | 2036.81 | J/mol×K | 1452.11 | Joback Calculated Property |
| Cp,gas | 2046.70 | J/mol×K | 1512.06 | Joback Calculated Property |
| η | [0.0000046; 0.0001284] | Pa×s | [613.53; 1152.34] |
|
| η | 0.0001284 | Pa×s | 613.53 | Joback Calculated Property |
| η | 0.0000516 | Pa×s | 703.33 | Joback Calculated Property |
| η | 0.0000255 | Pa×s | 793.13 | Joback Calculated Property |
| η | 0.0000145 | Pa×s | 882.94 | Joback Calculated Property |
| η | 0.0000092 | Pa×s | 972.74 | Joback Calculated Property |
| η | 0.0000063 | Pa×s | 1062.54 | Joback Calculated Property |
| η | 0.0000046 | Pa×s | 1152.34 | Joback Calculated Property |
Similar Compounds
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Sources
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