- InChI
- InChI=1S/C24H46O4/c1-4-5-6-7-8-9-10-11-12-16-20-27-23(25)17-14-13-15-18-24(26)28-21-19-22(2)3/h22H,4-21H2,1-3H3
- InChI Key
- DMZJKEWDISWBOX-UHFFFAOYSA-N
- Formula
- C24H46O4
- SMILES
-
CCCCCCCCCCCCOC(=O)CCCCCC(=O)OC
CC(C)C - Molecular Weight1
- 398.63
- 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 | 1.1522 | Relay (1.0) Calculated Property | |
| ΔfG° | -471.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1158.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 63.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.990 | Crippen Calculated Property | |
| McVol | 363.900 | ml/mol | McGowan Calculated Property |
| Pc | 814.46 | kPa | Joback Calculated Property |
| Inp | [2728.00; 2728.00] |
|
|
| Inp | 2728.00 | NIST | |
| Inp | 2728.00 | NIST | |
| Tboil | 638.81 | K | Relay (1.0) Calculated Property |
| Tc | 810.92 | K | Relay (1.0) Calculated Property |
| Tfus | 277.02 | K | Relay (1.0) Calculated Property |
| Vc | 1.410 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1199.32; 1299.69] | J/mol×K | [864.72; 1058.87] |
|
| Cp,gas | 1199.32 | J/mol×K | 864.72 | Joback Calculated Property |
| Cp,gas | 1219.43 | J/mol×K | 897.08 | Joback Calculated Property |
| Cp,gas | 1238.14 | J/mol×K | 929.44 | Joback Calculated Property |
| Cp,gas | 1255.49 | J/mol×K | 961.79 | Joback Calculated Property |
| Cp,gas | 1271.51 | J/mol×K | 994.15 | Joback Calculated Property |
| Cp,gas | 1286.23 | J/mol×K | 1026.51 | Joback Calculated Property |
| Cp,gas | 1299.69 | J/mol×K | 1058.87 | Joback Calculated Property |
| η | [0.0000208; 0.0010938] | Pa×s | [429.90; 864.72] |
|
| η | 0.0010938 | Pa×s | 429.90 | Joback Calculated Property |
| η | 0.0003510 | Pa×s | 502.37 | Joback Calculated Property |
| η | 0.0001500 | Pa×s | 574.84 | Joback Calculated Property |
| η | 0.0000775 | Pa×s | 647.31 | Joback Calculated Property |
| η | 0.0000458 | Pa×s | 719.78 | Joback Calculated Property |
| η | 0.0000298 | Pa×s | 792.25 | Joback Calculated Property |
| η | 0.0000208 | Pa×s | 864.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, dodecyl 3-methylbutyl ester.
Sources
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