- InChI
- InChI=1S/C29H56O4/c1-5-6-7-8-9-10-11-12-13-17-24-32-28(30)21-15-14-16-22-29(31)33-25-23-27(4)20-18-19-26(2)3/h26-27H,5-25H2,1-4H3
- InChI Key
- YIINDZHOHLYDNT-UHFFFAOYSA-N
- Formula
- C29H56O4
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCCCC(=O)OC
CC(C)CCCC(C)C - Molecular Weight1
- 468.76
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.2807 | Relay (1.0) Calculated Property | |
| ΔfG° | -432.32 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1271.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 127.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.797 | Crippen Calculated Property | |
| McVol | 434.350 | ml/mol | McGowan Calculated Property |
| Pc | 632.57 | kPa | Joback Calculated Property |
| Inp | [3150.00; 3150.00] |
|
|
| Inp | 3150.00 | NIST | |
| Inp | 3150.00 | NIST | |
| Tboil | 673.10 | K | Relay (1.0) Calculated Property |
| Tc | 843.35 | K | Relay (1.0) Calculated Property |
| Tfus | 274.17 | K | Relay (1.0) Calculated Property |
| Vc | 1.656 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1520.17; 1624.94] | J/mol×K | [978.68; 1212.97] |
|
| Cp,gas | 1520.17 | J/mol×K | 978.68 | Joback Calculated Property |
| Cp,gas | 1542.73 | J/mol×K | 1017.73 | Joback Calculated Property |
| Cp,gas | 1563.15 | J/mol×K | 1056.78 | Joback Calculated Property |
| Cp,gas | 1581.51 | J/mol×K | 1095.82 | Joback Calculated Property |
| Cp,gas | 1597.87 | J/mol×K | 1134.87 | Joback Calculated Property |
| Cp,gas | 1612.32 | J/mol×K | 1173.92 | Joback Calculated Property |
| Cp,gas | 1624.94 | J/mol×K | 1212.97 | Joback Calculated Property |
| η | [0.0000084; 0.0006130] | Pa×s | [471.25; 978.68] |
|
| η | 0.0006130 | Pa×s | 471.25 | Joback Calculated Property |
| η | 0.0001742 | Pa×s | 555.82 | Joback Calculated Property |
| η | 0.0000690 | Pa×s | 640.39 | Joback Calculated Property |
| η | 0.0000339 | Pa×s | 724.97 | Joback Calculated Property |
| η | 0.0000194 | Pa×s | 809.54 | Joback Calculated Property |
| η | 0.0000123 | Pa×s | 894.11 | Joback Calculated Property |
| η | 0.0000084 | Pa×s | 978.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 3,7-dimethyloctyl dodecyl ester.
Sources
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