- InChI
- InChI=1S/C25H48O5/c1-6-7-8-10-13-23(16-18-28-5)17-19-29-24(26)14-11-9-12-15-25(27)30-22(4)20-21(2)3/h21-23H,6-20H2,1-5H3
- InChI Key
- GODOBVFMCMSPFZ-UHFFFAOYSA-N
- Formula
- C25H48O5
- SMILES
-
CCCCCCC(CCOC)CCOC(=O)CCCCCC(=O
)OC(C)CC(C)C - Molecular Weight1
- 428.65
- 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° | -420.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1196.99 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.80 | kJ/mol | Joback Calculated Property |
| log10WS | -6.73 | Crippen Calculated Property | |
| logPoct/wat | 6.471 | Crippen Calculated Property | |
| McVol | 383.860 | ml/mol | McGowan Calculated Property |
| Pc | 807.54 | kPa | Joback Calculated Property |
| Inp | [2699.00; 2699.00] |
|
|
| Inp | 2699.00 | NIST | |
| Inp | 2699.00 | NIST | |
| Tboil | 945.08 | K | Joback Calculated Property |
| Tc | 1160.19 | K | Joback Calculated Property |
| Tfus | 493.06 | K | Joback Calculated Property |
| Vc | 1.484 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1314.37; 1408.77] | J/mol×K | [945.08; 1160.19] |
|
| Cp,gas | 1314.37 | J/mol×K | 945.08 | Joback Calculated Property |
| Cp,gas | 1334.34 | J/mol×K | 980.93 | Joback Calculated Property |
| Cp,gas | 1352.58 | J/mol×K | 1016.78 | Joback Calculated Property |
| Cp,gas | 1369.11 | J/mol×K | 1052.64 | Joback Calculated Property |
| Cp,gas | 1383.97 | J/mol×K | 1088.49 | Joback Calculated Property |
| Cp,gas | 1397.18 | J/mol×K | 1124.34 | Joback Calculated Property |
| Cp,gas | 1408.77 | J/mol×K | 1160.19 | Joback Calculated Property |
| η | [0.0000141; 0.0004794] | Pa×s | [493.06; 945.08] |
|
| η | 0.0004794 | Pa×s | 493.06 | Joback Calculated Property |
| η | 0.0001804 | Pa×s | 568.40 | Joback Calculated Property |
| η | 0.0000853 | Pa×s | 643.73 | Joback Calculated Property |
| η | 0.0000472 | Pa×s | 719.07 | Joback Calculated Property |
| η | 0.0000292 | Pa×s | 794.41 | Joback Calculated Property |
| η | 0.0000197 | Pa×s | 869.74 | Joback Calculated Property |
| η | 0.0000141 | Pa×s | 945.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-methyl-2-pentyl 3-(2-methoxyethyl)nonyl ester.
Sources
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