- InChI
- InChI=1S/C20H30O5/c1-3-4-8-15-24-19(21)9-6-5-7-10-20(22)25-16-17-11-13-18(23-2)14-12-17/h11-14H,3-10,15-16H2,1-2H3
- InChI Key
- YQZZKEBBFWQYBF-UHFFFAOYSA-N
- Formula
- C20H30O5
- SMILES
-
CCCCCOC(=O)CCCCCC(=O)OCc1ccc(O
C)cc1 - Molecular Weight1
- 350.45
- 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 | 1.0251 | Relay (1.0) Calculated Property | |
| ΔfG° | -352.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -937.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.422 | Crippen Calculated Property | |
| McVol | 289.650 | ml/mol | McGowan Calculated Property |
| Pc | 1325.20 | kPa | Joback Calculated Property |
| Inp | [2571.00; 2571.00] |
|
|
| Inp | 2571.00 | NIST | |
| Inp | 2571.00 | NIST | |
| Tboil | 646.95 | K | Relay (1.0) Calculated Property |
| Tc | 839.32 | K | Relay (1.0) Calculated Property |
| Tfus | 289.40 | K | Relay (1.0) Calculated Property |
| Vc | 1.086 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [907.10; 982.99] | J/mol×K | [863.66; 1065.19] |
|
| Cp,gas | 907.10 | J/mol×K | 863.66 | Joback Calculated Property |
| Cp,gas | 922.75 | J/mol×K | 897.25 | Joback Calculated Property |
| Cp,gas | 937.18 | J/mol×K | 930.84 | Joback Calculated Property |
| Cp,gas | 950.41 | J/mol×K | 964.43 | Joback Calculated Property |
| Cp,gas | 962.45 | J/mol×K | 998.02 | Joback Calculated Property |
| Cp,gas | 973.30 | J/mol×K | 1031.61 | Joback Calculated Property |
| Cp,gas | 982.99 | J/mol×K | 1065.19 | Joback Calculated Property |
| η | [0.0000411; 0.0004161] | Pa×s | [520.65; 863.66] |
|
| η | 0.0004161 | Pa×s | 520.65 | Joback Calculated Property |
| η | 0.0002338 | Pa×s | 577.82 | Joback Calculated Property |
| η | 0.0001457 | Pa×s | 634.99 | Joback Calculated Property |
| η | 0.0000982 | Pa×s | 692.15 | Joback Calculated Property |
| η | 0.0000703 | Pa×s | 749.32 | Joback Calculated Property |
| η | 0.0000527 | Pa×s | 806.49 | Joback Calculated Property |
| η | 0.0000411 | Pa×s | 863.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-methoxybenzyl pentyl ester.
Sources
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