- InChI
- InChI=1S/C28H46O4/c1-2-3-4-5-6-7-8-9-10-11-18-24-31-27(29)21-16-13-17-22-28(30)32-25-23-26-19-14-12-15-20-26/h12,14-15,19-20H,2-11,13,16-18,21-25H2,1H3
- InChI Key
- GPPDKHQALYGKEM-UHFFFAOYSA-N
- Formula
- C28H46O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCCCC(=O)O
CCc1ccccc1 - Molecular Weight1
- 446.66
- 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° | -170.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -874.32 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.51 | kJ/mol | Joback Calculated Property |
| log10WS | -8.37 | Crippen Calculated Property | |
| logPoct/wat | 7.577 | Crippen Calculated Property | |
| McVol | 396.500 | ml/mol | McGowan Calculated Property |
| Pc | 824.31 | kPa | Joback Calculated Property |
| Inp | [2906.00; 2906.00] |
|
|
| Inp | 2906.00 | NIST | |
| Inp | 2906.00 | NIST | |
| Tboil | 1019.30 | K | Joback Calculated Property |
| Tc | 1252.65 | K | Joback Calculated Property |
| Tfus | 576.06 | K | Joback Calculated Property |
| Vc | 1.544 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1370.19; 1456.16] | J/mol×K | [1019.30; 1252.65] |
|
| Cp,gas | 1370.19 | J/mol×K | 1019.30 | Joback Calculated Property |
| Cp,gas | 1388.60 | J/mol×K | 1058.19 | Joback Calculated Property |
| Cp,gas | 1405.27 | J/mol×K | 1097.08 | Joback Calculated Property |
| Cp,gas | 1420.28 | J/mol×K | 1135.98 | Joback Calculated Property |
| Cp,gas | 1433.72 | J/mol×K | 1174.87 | Joback Calculated Property |
| Cp,gas | 1445.65 | J/mol×K | 1213.76 | Joback Calculated Property |
| Cp,gas | 1456.16 | J/mol×K | 1252.65 | Joback Calculated Property |
| η | [0.0000163; 0.0002698] | Pa×s | [576.06; 1019.30] |
|
| η | 0.0002698 | Pa×s | 576.06 | Joback Calculated Property |
| η | 0.0001296 | Pa×s | 649.93 | Joback Calculated Property |
| η | 0.0000723 | Pa×s | 723.81 | Joback Calculated Property |
| η | 0.0000449 | Pa×s | 797.68 | Joback Calculated Property |
| η | 0.0000303 | Pa×s | 871.55 | Joback Calculated Property |
| η | 0.0000217 | Pa×s | 945.43 | Joback Calculated Property |
| η | 0.0000163 | Pa×s | 1019.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, phenethyl tridecyl ester.
Sources
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