- InChI
- InChI=1S/C21H26O4/c1-2-3-15-24-20(22)11-5-4-6-12-21(23)25-19-14-13-17-9-7-8-10-18(17)16-19/h7-10,13-14,16H,2-6,11-12,15H2,1H3
- InChI Key
- YXROBZJZPVMICO-UHFFFAOYSA-N
- Formula
- C21H26O4
- SMILES
-
CCCCOC(=O)CCCCCC(=O)Oc1ccc2ccc
cc2c1 - Molecular Weight1
- 342.43
- 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° | -132.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -550.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.23 | kJ/mol | Joback Calculated Property |
| log10WS | -6.22 | Crippen Calculated Property | |
| logPoct/wat | 5.039 | Crippen Calculated Property | |
| McVol | 278.410 | ml/mol | McGowan Calculated Property |
| Pc | 1501.15 | kPa | Joback Calculated Property |
| Inp | [2786.00; 2786.00] |
|
|
| Inp | 2786.00 | NIST | |
| Inp | 2786.00 | NIST | |
| Tboil | 883.10 | K | Joback Calculated Property |
| Tc | 1096.62 | K | Joback Calculated Property |
| Tfus | 542.39 | K | Joback Calculated Property |
| Vc | 1.073 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [861.05; 934.15] | J/mol×K | [883.10; 1096.62] |
|
| Cp,gas | 861.05 | J/mol×K | 883.10 | Joback Calculated Property |
| Cp,gas | 875.78 | J/mol×K | 918.69 | Joback Calculated Property |
| Cp,gas | 889.42 | J/mol×K | 954.27 | Joback Calculated Property |
| Cp,gas | 902.02 | J/mol×K | 989.86 | Joback Calculated Property |
| Cp,gas | 913.64 | J/mol×K | 1025.45 | Joback Calculated Property |
| Cp,gas | 924.33 | J/mol×K | 1061.03 | Joback Calculated Property |
| Cp,gas | 934.15 | J/mol×K | 1096.62 | Joback Calculated Property |
| η | [0.0000952; 0.0006540] | Pa×s | [542.39; 883.10] |
|
| η | 0.0006540 | Pa×s | 542.39 | Joback Calculated Property |
| η | 0.0004074 | Pa×s | 599.17 | Joback Calculated Property |
| η | 0.0002754 | Pa×s | 655.96 | Joback Calculated Property |
| η | 0.0001982 | Pa×s | 712.74 | Joback Calculated Property |
| η | 0.0001497 | Pa×s | 769.53 | Joback Calculated Property |
| η | 0.0001176 | Pa×s | 826.31 | Joback Calculated Property |
| η | 0.0000952 | Pa×s | 883.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, butyl 2-naphthyl ester.
Sources
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