- InChI
- InChI=1S/C21H32O5/c1-16(2)14-17(3)26-21(23)9-7-5-6-8-20(22)25-15-18-10-12-19(24-4)13-11-18/h10-13,16-17H,5-9,14-15H2,1-4H3
- InChI Key
- OIZCZXTYKJNMHK-UHFFFAOYSA-N
- Formula
- C21H32O5
- SMILES
-
COc1ccc(COC(=O)CCCCCC(=O)OC(C)
CC(C)C)cc1 - Molecular Weight1
- 364.48
- 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° | -349.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -884.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.51 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.22 | kJ/mol | Joback Calculated Property |
| log10WS | -5.51 | Crippen Calculated Property | |
| logPoct/wat | 4.667 | Crippen Calculated Property | |
| McVol | 303.740 | ml/mol | McGowan Calculated Property |
| Pc | 1251.26 | kPa | Joback Calculated Property |
| Inp | [2706.00; 2706.00] |
|
|
| Inp | 2706.00 | NIST | |
| Inp | 2706.00 | NIST | |
| Tboil | 885.66 | K | Joback Calculated Property |
| Tc | 1091.46 | K | Joback Calculated Property |
| Tfus | 501.92 | K | Joback Calculated Property |
| Vc | 1.157 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [967.72; 1043.83] | J/mol×K | [885.66; 1091.46] |
|
| Cp,gas | 967.72 | J/mol×K | 885.66 | Joback Calculated Property |
| Cp,gas | 983.68 | J/mol×K | 919.96 | Joback Calculated Property |
| Cp,gas | 998.32 | J/mol×K | 954.26 | Joback Calculated Property |
| Cp,gas | 1011.63 | J/mol×K | 988.56 | Joback Calculated Property |
| Cp,gas | 1023.65 | J/mol×K | 1022.86 | Joback Calculated Property |
| Cp,gas | 1034.38 | J/mol×K | 1057.16 | Joback Calculated Property |
| Cp,gas | 1043.83 | J/mol×K | 1091.46 | Joback Calculated Property |
| η | [0.0000298; 0.0004729] | Pa×s | [501.92; 885.66] |
|
| η | 0.0004729 | Pa×s | 501.92 | Joback Calculated Property |
| η | 0.0002299 | Pa×s | 565.88 | Joback Calculated Property |
| η | 0.0001293 | Pa×s | 629.83 | Joback Calculated Property |
| η | 0.0000809 | Pa×s | 693.79 | Joback Calculated Property |
| η | 0.0000548 | Pa×s | 757.75 | Joback Calculated Property |
| η | 0.0000394 | Pa×s | 821.70 | Joback Calculated Property |
| η | 0.0000298 | Pa×s | 885.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-methyl-2-pentyl 4-methoxybenzyl ester.
Sources
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