- InChI
- InChI=1S/C22H42O4/c1-5-7-8-9-10-11-15-18-25-21(23)16-13-12-14-17-22(24)26-20(4)19(3)6-2/h19-20H,5-18H2,1-4H3
- InChI Key
- UPWIMTXRPQESEA-UHFFFAOYSA-N
- Formula
- C22H42O4
- SMILES
-
CCCCCCCCCOC(=O)CCCCCC(=O)OC(C)
C(C)CC - Molecular Weight1
- 370.57
- 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 | 1.0383 | Relay (1.0) Calculated Property | |
| ΔfG° | -338.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1139.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.209 | Crippen Calculated Property | |
| McVol | 335.720 | ml/mol | McGowan Calculated Property |
| Pc | 963.27 | kPa | Joback Calculated Property |
| Inp | [2463.00; 2463.00] |
|
|
| Inp | 2463.00 | NIST | |
| Inp | 2463.00 | NIST | |
| Tboil | 615.37 | K | Relay (1.0) Calculated Property |
| Tc | 794.18 | K | Relay (1.0) Calculated Property |
| Tfus | 255.72 | K | Relay (1.0) Calculated Property |
| Vc | 1.268 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1092.98; 1190.16] | J/mol×K | [854.46; 1046.57] |
|
| Cp,gas | 1092.98 | J/mol×K | 854.46 | Joback Calculated Property |
| Cp,gas | 1112.15 | J/mol×K | 886.48 | Joback Calculated Property |
| Cp,gas | 1130.10 | J/mol×K | 918.50 | Joback Calculated Property |
| Cp,gas | 1146.85 | J/mol×K | 950.51 | Joback Calculated Property |
| Cp,gas | 1162.43 | J/mol×K | 982.53 | Joback Calculated Property |
| Cp,gas | 1176.86 | J/mol×K | 1014.55 | Joback Calculated Property |
| Cp,gas | 1190.16 | J/mol×K | 1046.57 | Joback Calculated Property |
| η | [0.0000333; 0.0009298] | Pa×s | [452.02; 854.46] |
|
| η | 0.0009298 | Pa×s | 452.02 | Joback Calculated Property |
| η | 0.0003731 | Pa×s | 519.09 | Joback Calculated Property |
| η | 0.0001845 | Pa×s | 586.17 | Joback Calculated Property |
| η | 0.0001055 | Pa×s | 653.24 | Joback Calculated Property |
| η | 0.0000669 | Pa×s | 720.31 | Joback Calculated Property |
| η | 0.0000458 | Pa×s | 787.39 | Joback Calculated Property |
| η | 0.0000333 | Pa×s | 854.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 3-methyl-2-pentyl nonyl ester.
Sources
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