- InChI
- InChI=1S/C22H42O4/c1-4-5-6-7-8-9-10-14-18-25-21(23)15-12-11-13-16-22(24)26-19-17-20(2)3/h20H,4-19H2,1-3H3
- InChI Key
- GAXZNUBQYAJGRS-UHFFFAOYSA-N
- Formula
- C22H42O4
- SMILES
-
CCCCCCCCCCOC(=O)CCCCCC(=O)OCCC
(C)C - 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 | 1.0820 | Relay (1.0) Calculated Property | |
| ΔfG° | -488.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1118.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.74 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.210 | Crippen Calculated Property | |
| McVol | 335.720 | ml/mol | McGowan Calculated Property |
| Pc | 911.63 | kPa | Joback Calculated Property |
| Inp | [2531.00; 2531.00] |
|
|
| Inp | 2531.00 | NIST | |
| Inp | 2531.00 | NIST | |
| Tboil | 625.13 | K | Relay (1.0) Calculated Property |
| Tc | 796.47 | K | Relay (1.0) Calculated Property |
| Tfus | 267.57 | K | Relay (1.0) Calculated Property |
| Vc | 1.299 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1074.56; 1172.53] | J/mol×K | [818.96; 1003.42] |
|
| Cp,gas | 1074.56 | J/mol×K | 818.96 | Joback Calculated Property |
| Cp,gas | 1093.83 | J/mol×K | 849.70 | Joback Calculated Property |
| Cp,gas | 1111.90 | J/mol×K | 880.45 | Joback Calculated Property |
| Cp,gas | 1128.78 | J/mol×K | 911.19 | Joback Calculated Property |
| Cp,gas | 1144.49 | J/mol×K | 941.93 | Joback Calculated Property |
| Cp,gas | 1159.07 | J/mol×K | 972.67 | Joback Calculated Property |
| Cp,gas | 1172.53 | J/mol×K | 1003.42 | Joback Calculated Property |
| η | [0.0000285; 0.0014746] | Pa×s | [407.36; 818.96] |
|
| η | 0.0014746 | Pa×s | 407.36 | Joback Calculated Property |
| η | 0.0004754 | Pa×s | 475.96 | Joback Calculated Property |
| η | 0.0002039 | Pa×s | 544.56 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 613.16 | Joback Calculated Property |
| η | 0.0000625 | Pa×s | 681.76 | Joback Calculated Property |
| η | 0.0000407 | Pa×s | 750.36 | Joback Calculated Property |
| η | 0.0000285 | Pa×s | 818.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, decyl 3-methylbutyl ester.
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