- InChI
- InChI=1S/C21H32O4/c1-17(2)16-18(3)25-21(23)13-9-5-8-12-20(22)24-15-14-19-10-6-4-7-11-19/h4,6-7,10-11,17-18H,5,8-9,12-16H2,1-3H3
- InChI Key
- LEOFOFKKQGTXHN-UHFFFAOYSA-N
- Formula
- C21H32O4
- SMILES
-
CC(C)CC(C)OC(=O)CCCCCC(=O)OCCc
1ccccc1 - Molecular Weight1
- 348.48
- 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° | -234.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -740.40 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.15 | kJ/mol | Joback Calculated Property |
| log10WS | -5.31 | Crippen Calculated Property | |
| logPoct/wat | 4.701 | Crippen Calculated Property | |
| McVol | 297.870 | ml/mol | McGowan Calculated Property |
| Pc | 1280.08 | kPa | Joback Calculated Property |
| Inp | [2661.00; 2661.00] |
|
|
| Inp | 2661.00 | NIST | |
| Inp | 2661.00 | NIST | |
| Tboil | 858.26 | K | Joback Calculated Property |
| Tc | 1061.58 | K | Joback Calculated Property |
| Tfus | 467.17 | K | Joback Calculated Property |
| Vc | 1.139 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [938.74; 1020.81] | J/mol×K | [858.26; 1061.58] |
|
| Cp,gas | 938.74 | J/mol×K | 858.26 | Joback Calculated Property |
| Cp,gas | 955.38 | J/mol×K | 892.15 | Joback Calculated Property |
| Cp,gas | 970.79 | J/mol×K | 926.03 | Joback Calculated Property |
| Cp,gas | 985.01 | J/mol×K | 959.92 | Joback Calculated Property |
| Cp,gas | 998.07 | J/mol×K | 993.81 | Joback Calculated Property |
| Cp,gas | 1009.99 | J/mol×K | 1027.70 | Joback Calculated Property |
| Cp,gas | 1020.81 | J/mol×K | 1061.58 | Joback Calculated Property |
| η | [0.0000394; 0.0008366] | Pa×s | [467.17; 858.26] |
|
| η | 0.0008366 | Pa×s | 467.17 | Joback Calculated Property |
| η | 0.0003680 | Pa×s | 532.35 | Joback Calculated Property |
| η | 0.0001936 | Pa×s | 597.53 | Joback Calculated Property |
| η | 0.0001156 | Pa×s | 662.71 | Joback Calculated Property |
| η | 0.0000757 | Pa×s | 727.90 | Joback Calculated Property |
| η | 0.0000531 | Pa×s | 793.08 | Joback Calculated Property |
| η | 0.0000394 | Pa×s | 858.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 4-methyl-2-pentyl phenethyl ester.
Sources
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