- InChI
- InChI=1S/C25H36O4/c1-20(2)19-28-24(26)16-10-5-11-17-25(27)29-23(22-14-8-4-9-15-22)18-21-12-6-3-7-13-21/h4,6,8-9,12,14-15,20-21,23H,3,5,7,10-11,13,16-19H2,1-2H3
- InChI Key
- MZPKZSHKVVDOAE-UHFFFAOYSA-N
- Formula
- C25H36O4
- SMILES
-
CC(C)COC(=O)CCCCCC(=O)OC(CC1C=
CCCC1)c1ccccc1 - Molecular Weight1
- 400.55
- 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° | -146.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -710.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.78 | kJ/mol | Joback Calculated Property |
| log10WS | -6.84 | Crippen Calculated Property | |
| logPoct/wat | 6.167 | Crippen Calculated Property | |
| McVol | 339.070 | ml/mol | McGowan Calculated Property |
| Pc | 1158.50 | kPa | Joback Calculated Property |
| Inp | [2880.00; 2880.00] |
|
|
| Inp | 2880.00 | NIST | |
| Inp | 2880.00 | NIST | |
| Tboil | 968.49 | K | Joback Calculated Property |
| Tc | 1192.00 | K | Joback Calculated Property |
| Tfus | 520.39 | K | Joback Calculated Property |
| Vc | 1.282 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1146.61; 1220.84] | J/mol×K | [968.49; 1192.00] |
|
| Cp,gas | 1146.61 | J/mol×K | 968.49 | Joback Calculated Property |
| Cp,gas | 1162.86 | J/mol×K | 1005.74 | Joback Calculated Property |
| Cp,gas | 1177.48 | J/mol×K | 1042.99 | Joback Calculated Property |
| Cp,gas | 1190.53 | J/mol×K | 1080.25 | Joback Calculated Property |
| Cp,gas | 1202.06 | J/mol×K | 1117.50 | Joback Calculated Property |
| Cp,gas | 1212.15 | J/mol×K | 1154.75 | Joback Calculated Property |
| Cp,gas | 1220.84 | J/mol×K | 1192.00 | Joback Calculated Property |
| η | [0.0000242; 0.0005624] | Pa×s | [520.39; 968.49] |
|
| η | 0.0005624 | Pa×s | 520.39 | Joback Calculated Property |
| η | 0.0002396 | Pa×s | 595.07 | Joback Calculated Property |
| η | 0.0001234 | Pa×s | 669.76 | Joback Calculated Property |
| η | 0.0000727 | Pa×s | 744.44 | Joback Calculated Property |
| η | 0.0000471 | Pa×s | 819.12 | Joback Calculated Property |
| η | 0.0000328 | Pa×s | 893.81 | Joback Calculated Property |
| η | 0.0000242 | Pa×s | 968.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, (2-(cyclohexenyl-3)-1-phenyl)ethyl isobutyl ester.
Sources
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