- InChI
- InChI=1S/C30H58O4/c1-5-6-7-8-9-10-11-12-13-14-18-25-33-29(31)22-16-15-17-23-30(32)34-26-24-28(4)21-19-20-27(2)3/h27-28H,5-26H2,1-4H3
- InChI Key
- SJWQEQKFVOZURZ-UHFFFAOYSA-N
- Formula
- C30H58O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCCCC(=O)O
CCC(C)CCCC(C)C - Molecular Weight1
- 482.78
- 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° | -271.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1162.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 71.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.91 | kJ/mol | Joback Calculated Property |
| log10WS | -9.62 | Crippen Calculated Property | |
| logPoct/wat | 9.187 | Crippen Calculated Property | |
| McVol | 448.440 | ml/mol | McGowan Calculated Property |
| Pc | 628.14 | kPa | Joback Calculated Property |
| Inp | [3253.00; 3253.00] |
|
|
| Inp | 3253.00 | NIST | |
| Inp | 3253.00 | NIST | |
| Tboil | 1037.50 | K | Joback Calculated Property |
| Tc | 1297.92 | K | Joback Calculated Property |
| Tfus | 542.18 | K | Joback Calculated Property |
| Vc | 1.752 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1605.60; 1712.42] | J/mol×K | [1037.50; 1297.92] |
|
| Cp,gas | 1605.60 | J/mol×K | 1037.50 | Joback Calculated Property |
| Cp,gas | 1629.18 | J/mol×K | 1080.90 | Joback Calculated Property |
| Cp,gas | 1650.31 | J/mol×K | 1124.31 | Joback Calculated Property |
| Cp,gas | 1669.09 | J/mol×K | 1167.71 | Joback Calculated Property |
| Cp,gas | 1685.63 | J/mol×K | 1211.11 | Joback Calculated Property |
| Cp,gas | 1700.04 | J/mol×K | 1254.52 | Joback Calculated Property |
| Cp,gas | 1712.42 | J/mol×K | 1297.92 | Joback Calculated Property |
| η | [0.0000094; 0.0003054] | Pa×s | [542.18; 1037.50] |
|
| η | 0.0003054 | Pa×s | 542.18 | Joback Calculated Property |
| η | 0.0001167 | Pa×s | 624.73 | Joback Calculated Property |
| η | 0.0000558 | Pa×s | 707.29 | Joback Calculated Property |
| η | 0.0000312 | Pa×s | 789.84 | Joback Calculated Property |
| η | 0.0000194 | Pa×s | 872.39 | Joback Calculated Property |
| η | 0.0000131 | Pa×s | 954.95 | Joback Calculated Property |
| η | 0.0000094 | Pa×s | 1037.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 3,7-dimethyloctyl tridecyl ester.
Sources
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