- InChI
- InChI=1S/C20H38O4/c1-4-5-6-7-8-12-16-23-19(21)13-10-9-11-14-20(22)24-17-15-18(2)3/h18H,4-17H2,1-3H3
- InChI Key
- UKRCYAJAAKCWLJ-UHFFFAOYSA-N
- Formula
- C20H38O4
- SMILES
-
CCCCCCCCOC(=O)CCCCCC(=O)OCCC(C
)C - Molecular Weight1
- 342.52
- 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 | 1.0118 | Relay (1.0) Calculated Property | |
| ΔfG° | -505.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1078.47 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.77 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.430 | Crippen Calculated Property | |
| McVol | 307.540 | ml/mol | McGowan Calculated Property |
| Pc | 1027.28 | kPa | Joback Calculated Property |
| Inp | [2330.00; 2330.00] |
|
|
| Inp | 2330.00 | NIST | |
| Inp | 2330.00 | NIST | |
| Tboil | 611.14 | K | Relay (1.0) Calculated Property |
| Tc | 780.38 | K | Relay (1.0) Calculated Property |
| Tfus | 257.70 | K | Relay (1.0) Calculated Property |
| Vc | 1.189 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [952.52; 1048.07] | J/mol×K | [773.20; 951.24] |
|
| Cp,gas | 952.52 | J/mol×K | 773.20 | Joback Calculated Property |
| Cp,gas | 971.07 | J/mol×K | 802.87 | Joback Calculated Property |
| Cp,gas | 988.54 | J/mol×K | 832.55 | Joback Calculated Property |
| Cp,gas | 1004.96 | J/mol×K | 862.22 | Joback Calculated Property |
| Cp,gas | 1020.34 | J/mol×K | 891.89 | Joback Calculated Property |
| Cp,gas | 1034.71 | J/mol×K | 921.56 | Joback Calculated Property |
| Cp,gas | 1048.07 | J/mol×K | 951.24 | Joback Calculated Property |
| η | [0.0000387; 0.0019705] | Pa×s | [384.82; 773.20] |
|
| η | 0.0019705 | Pa×s | 384.82 | Joback Calculated Property |
| η | 0.0006387 | Pa×s | 449.55 | Joback Calculated Property |
| η | 0.0002749 | Pa×s | 514.28 | Joback Calculated Property |
| η | 0.0001429 | Pa×s | 579.01 | Joback Calculated Property |
| η | 0.0000847 | Pa×s | 643.74 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 708.47 | Joback Calculated Property |
| η | 0.0000387 | Pa×s | 773.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, octyl 3-methylbutyl ester.
Sources
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