- 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
- 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 | 1.3158 | Relay (1.0) Calculated Property | |
| ΔfG° | -423.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1291.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 75.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 131.67 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.187 | Crippen Calculated Property | |
| McVol | 448.440 | ml/mol | McGowan Calculated Property |
| Pc | 603.09 | kPa | Joback Calculated Property |
| Inp | [3253.00; 3253.00] |
|
|
| Inp | 3253.00 | NIST | |
| Inp | 3253.00 | NIST | |
| Tboil | 679.63 | K | Relay (1.0) Calculated Property |
| Tc | 849.73 | K | Relay (1.0) Calculated Property |
| Tfus | 277.54 | K | Relay (1.0) Calculated Property |
| Vc | 1.711 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1585.28; 1690.75] | J/mol×K | [1001.56; 1247.71] |
|
| Cp,gas | 1585.28 | J/mol×K | 1001.56 | Joback Calculated Property |
| Cp,gas | 1608.47 | J/mol×K | 1042.59 | Joback Calculated Property |
| Cp,gas | 1629.28 | J/mol×K | 1083.61 | Joback Calculated Property |
| Cp,gas | 1647.82 | J/mol×K | 1124.64 | Joback Calculated Property |
| Cp,gas | 1664.18 | J/mol×K | 1165.66 | Joback Calculated Property |
| Cp,gas | 1678.46 | J/mol×K | 1206.69 | Joback Calculated Property |
| Cp,gas | 1690.75 | J/mol×K | 1247.71 | Joback Calculated Property |
| η | [0.0000071; 0.0005184] | Pa×s | [482.52; 1001.56] |
|
| η | 0.0005184 | Pa×s | 482.52 | Joback Calculated Property |
| η | 0.0001475 | Pa×s | 569.03 | Joback Calculated Property |
| η | 0.0000585 | Pa×s | 655.53 | Joback Calculated Property |
| η | 0.0000287 | Pa×s | 742.04 | Joback Calculated Property |
| η | 0.0000164 | Pa×s | 828.55 | Joback Calculated Property |
| η | 0.0000104 | Pa×s | 915.05 | Joback Calculated Property |
| η | 0.0000071 | Pa×s | 1001.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 3,7-dimethyloctyl tridecyl ester.
Sources
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