- InChI
- InChI=1S/C20H30O5/c1-15(2)14-16(3)24-19(21)12-6-5-7-13-20(22)25-18-11-9-8-10-17(18)23-4/h8-11,15-16H,5-7,12-14H2,1-4H3
- InChI Key
- MTHYCHUQTBHKKZ-UHFFFAOYSA-N
- Formula
- C20H30O5
- SMILES
-
COc1ccccc1OC(=O)CCCCCC(=O)OC(C
)CC(C)C - Molecular Weight1
- 350.45
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -357.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -863.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.00 | kJ/mol | Joback Calculated Property |
| log10WS | -5.24 | Crippen Calculated Property | |
| logPoct/wat | 4.529 | Crippen Calculated Property | |
| McVol | 289.650 | ml/mol | McGowan Calculated Property |
| Pc | 1340.78 | kPa | Joback Calculated Property |
| Inp | [2460.00; 2460.00] |
|
|
| Inp | 2460.00 | NIST | |
| Inp | 2460.00 | NIST | |
| Tboil | 862.78 | K | Joback Calculated Property |
| Tc | 1067.37 | K | Joback Calculated Property |
| Tfus | 490.65 | K | Joback Calculated Property |
| Vc | 1.101 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [908.12; 984.34] | J/mol×K | [862.78; 1067.37] |
|
| Cp,gas | 908.12 | J/mol×K | 862.78 | Joback Calculated Property |
| Cp,gas | 923.97 | J/mol×K | 896.88 | Joback Calculated Property |
| Cp,gas | 938.54 | J/mol×K | 930.98 | Joback Calculated Property |
| Cp,gas | 951.85 | J/mol×K | 965.07 | Joback Calculated Property |
| Cp,gas | 963.92 | J/mol×K | 999.17 | Joback Calculated Property |
| Cp,gas | 974.74 | J/mol×K | 1033.27 | Joback Calculated Property |
| Cp,gas | 984.34 | J/mol×K | 1067.37 | Joback Calculated Property |
| η | [0.0000344; 0.0005303] | Pa×s | [490.65; 862.78] |
|
| η | 0.0005303 | Pa×s | 490.65 | Joback Calculated Property |
| η | 0.0002604 | Pa×s | 552.67 | Joback Calculated Property |
| η | 0.0001476 | Pa×s | 614.69 | Joback Calculated Property |
| η | 0.0000928 | Pa×s | 676.72 | Joback Calculated Property |
| η | 0.0000631 | Pa×s | 738.74 | Joback Calculated Property |
| η | 0.0000455 | Pa×s | 800.76 | Joback Calculated Property |
| η | 0.0000344 | Pa×s | 862.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-methyl-2-pentyl 2-methoxyphenyl ester.
Sources
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