- InChI
- InChI=1S/C27H52O5/c1-5-6-7-8-9-10-11-12-13-14-18-22-31-26(28)19-16-15-17-20-27(29)32-25(3)24(2)21-23-30-4/h24-25H,5-23H2,1-4H3
- InChI Key
- DWANHPDLJLMTEU-UHFFFAOYSA-N
- Formula
- C27H52O5
- SMILES
-
CCCCCCCCCCCCCOC(=O)CCCCCC(=O)O
C(C)C(C)CCOC - Molecular Weight1
- 456.70
- 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° | -401.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1232.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.64 | kJ/mol | Joback Calculated Property |
| log10WS | -7.81 | Crippen Calculated Property | |
| logPoct/wat | 7.395 | Crippen Calculated Property | |
| McVol | 412.040 | ml/mol | McGowan Calculated Property |
| Pc | 723.02 | kPa | Joback Calculated Property |
| Inp | 3047.00 | NIST | |
| Tboil | 991.28 | K | Joback Calculated Property |
| Tc | 1226.37 | K | Joback Calculated Property |
| Tfus | 530.60 | K | Joback Calculated Property |
| Vc | 1.601 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1442.02; 1537.61] | J/mol×K | [991.28; 1226.37] | 
|
| Cp,gas | 1442.02 | J/mol×K | 991.28 | Joback Calculated Property |
| Cp,gas | 1463.10 | J/mol×K | 1030.46 | Joback Calculated Property |
| Cp,gas | 1482.05 | J/mol×K | 1069.64 | Joback Calculated Property |
| Cp,gas | 1498.93 | J/mol×K | 1108.82 | Joback Calculated Property |
| Cp,gas | 1513.79 | J/mol×K | 1148.01 | Joback Calculated Property |
| Cp,gas | 1526.67 | J/mol×K | 1187.19 | Joback Calculated Property |
| Cp,gas | 1537.61 | J/mol×K | 1226.37 | Joback Calculated Property |
| η | [0.0000112; 0.0003092] | Pa×s | [530.60; 991.28] |
|
| η | 0.0003092 | Pa×s | 530.60 | Joback Calculated Property |
| η | 0.0001254 | Pa×s | 607.38 | Joback Calculated Property |
| η | 0.0000623 | Pa×s | 684.16 | Joback Calculated Property |
| η | 0.0000356 | Pa×s | 760.94 | Joback Calculated Property |
| η | 0.0000226 | Pa×s | 837.72 | Joback Calculated Property |
| η | 0.0000155 | Pa×s | 914.50 | Joback Calculated Property |
| η | 0.0000112 | Pa×s | 991.28 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 5-methoxy-3-methylpent-2-yl tridecyl ester.
Sources
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