- InChI
- InChI=1S/C22H34O4/c1-18(2)17-19(3)26-22(24)15-9-5-8-14-21(23)25-16-10-13-20-11-6-4-7-12-20/h4,6-7,11-12,18-19H,5,8-10,13-17H2,1-3H3
- InChI Key
- GXAGWHDYQDXRMW-UHFFFAOYSA-N
- Formula
- C22H34O4
- SMILES
-
CC(C)CC(C)OC(=O)CCCCCC(=O)OCCC
c1ccccc1 - Molecular Weight1
- 362.50
- 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 | 0.9620 | Relay (1.0) Calculated Property | |
| ΔfG° | -225.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -897.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 45.30 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.72 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.091 | Crippen Calculated Property | |
| McVol | 311.960 | ml/mol | McGowan Calculated Property |
| Pc | 1196.48 | kPa | Joback Calculated Property |
| Inp | [2584.00; 2584.00] |
|
|
| Inp | 2584.00 | NIST | |
| Inp | 2584.00 | NIST | |
| Tboil | 646.67 | K | Relay (1.0) Calculated Property |
| Tc | 837.73 | K | Relay (1.0) Calculated Property |
| Tfus | 281.06 | K | Relay (1.0) Calculated Property |
| Vc | 1.155 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [998.81; 1081.21] | J/mol×K | [881.14; 1085.73] |
|
| Cp,gas | 998.81 | J/mol×K | 881.14 | Joback Calculated Property |
| Cp,gas | 1015.61 | J/mol×K | 915.24 | Joback Calculated Property |
| Cp,gas | 1031.13 | J/mol×K | 949.34 | Joback Calculated Property |
| Cp,gas | 1045.41 | J/mol×K | 983.44 | Joback Calculated Property |
| Cp,gas | 1058.50 | J/mol×K | 1017.53 | Joback Calculated Property |
| Cp,gas | 1070.42 | J/mol×K | 1051.63 | Joback Calculated Property |
| Cp,gas | 1081.21 | J/mol×K | 1085.73 | Joback Calculated Property |
| η | [0.0000340; 0.0007415] | Pa×s | [478.44; 881.14] |
|
| η | 0.0007415 | Pa×s | 478.44 | Joback Calculated Property |
| η | 0.0003233 | Pa×s | 545.56 | Joback Calculated Property |
| η | 0.0001691 | Pa×s | 612.67 | Joback Calculated Property |
| η | 0.0001005 | Pa×s | 679.79 | Joback Calculated Property |
| η | 0.0000656 | Pa×s | 746.91 | Joback Calculated Property |
| η | 0.0000459 | Pa×s | 814.02 | Joback Calculated Property |
| η | 0.0000340 | Pa×s | 881.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-methyl-2-pentyl 3-phenylpropyl ester.
Sources
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