- InChI
- InChI=1S/C21H40O4/c1-4-5-6-7-8-9-13-17-24-20(22)14-11-10-12-15-21(23)25-18-16-19(2)3/h19H,4-18H2,1-3H3
- InChI Key
- SUCPSUOVADGZSO-UHFFFAOYSA-N
- Formula
- C21H40O4
- SMILES
-
CCCCCCCCCOC(=O)CCCCCC(=O)OCCC(
C)C - Molecular Weight1
- 356.54
- 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 | 1.0469 | Relay (1.0) Calculated Property | |
| ΔfG° | -497.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1098.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.48 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.820 | Crippen Calculated Property | |
| McVol | 321.630 | ml/mol | McGowan Calculated Property |
| Pc | 966.87 | kPa | Joback Calculated Property |
| Inp | [2429.00; 2429.00] |
|
|
| Inp | 2429.00 | NIST | |
| Inp | 2429.00 | NIST | |
| Tboil | 618.16 | K | Relay (1.0) Calculated Property |
| Tc | 788.59 | K | Relay (1.0) Calculated Property |
| Tfus | 262.82 | K | Relay (1.0) Calculated Property |
| Vc | 1.244 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1013.16; 1109.93] | J/mol×K | [796.08; 976.95] |
|
| Cp,gas | 1013.16 | J/mol×K | 796.08 | Joback Calculated Property |
| Cp,gas | 1032.06 | J/mol×K | 826.23 | Joback Calculated Property |
| Cp,gas | 1049.83 | J/mol×K | 856.37 | Joback Calculated Property |
| Cp,gas | 1066.48 | J/mol×K | 886.52 | Joback Calculated Property |
| Cp,gas | 1082.03 | J/mol×K | 916.66 | Joback Calculated Property |
| Cp,gas | 1096.51 | J/mol×K | 946.81 | Joback Calculated Property |
| Cp,gas | 1109.93 | J/mol×K | 976.95 | Joback Calculated Property |
| η | [0.0000332; 0.0017066] | Pa×s | [396.09; 796.08] |
|
| η | 0.0017066 | Pa×s | 396.09 | Joback Calculated Property |
| η | 0.0005517 | Pa×s | 462.75 | Joback Calculated Property |
| η | 0.0002370 | Pa×s | 529.42 | Joback Calculated Property |
| η | 0.0001230 | Pa×s | 596.08 | Joback Calculated Property |
| η | 0.0000728 | Pa×s | 662.75 | Joback Calculated Property |
| η | 0.0000475 | Pa×s | 729.41 | Joback Calculated Property |
| η | 0.0000332 | Pa×s | 796.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, nonyl 3-methylbutyl ester.
Sources
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