- InChI
- InChI=1S/C21H32O4/c1-2-3-10-17-24-20(22)15-8-5-9-16-21(23)25-18-11-14-19-12-6-4-7-13-19/h4,6-7,12-13H,2-3,5,8-11,14-18H2,1H3
- InChI Key
- QVLPSNQDIURNQC-UHFFFAOYSA-N
- Formula
- C21H32O4
- SMILES
-
CCCCCOC(=O)CCCCCC(=O)OCCCc1ccc
cc1 - Molecular Weight1
- 348.48
- 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 | 1.0049 | Relay (1.0) Calculated Property | |
| ΔfG° | -382.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -844.61 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.67 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.91 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.846 | Crippen Calculated Property | |
| McVol | 297.870 | ml/mol | McGowan Calculated Property |
| Pc | 1194.82 | kPa | Joback Calculated Property |
| Inp | [2676.00; 2676.00] |
|
|
| Inp | 2676.00 | NIST | |
| Inp | 2676.00 | NIST | |
| Tboil | 651.93 | K | Relay (1.0) Calculated Property |
| Tc | 837.38 | K | Relay (1.0) Calculated Property |
| Tfus | 278.17 | K | Relay (1.0) Calculated Property |
| Vc | 1.126 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [923.69; 1006.35] | J/mol×K | [823.20; 1017.94] |
|
| Cp,gas | 923.69 | J/mol×K | 823.20 | Joback Calculated Property |
| Cp,gas | 940.39 | J/mol×K | 855.66 | Joback Calculated Property |
| Cp,gas | 955.89 | J/mol×K | 888.11 | Joback Calculated Property |
| Cp,gas | 970.20 | J/mol×K | 920.57 | Joback Calculated Property |
| Cp,gas | 983.36 | J/mol×K | 953.03 | Joback Calculated Property |
| Cp,gas | 995.40 | J/mol×K | 985.49 | Joback Calculated Property |
| Cp,gas | 1006.35 | J/mol×K | 1017.94 | Joback Calculated Property |
| η | [0.0000365; 0.0010094] | Pa×s | [437.51; 823.20] |
|
| η | 0.0010094 | Pa×s | 437.51 | Joback Calculated Property |
| η | 0.0004072 | Pa×s | 501.79 | Joback Calculated Property |
| η | 0.0002019 | Pa×s | 566.07 | Joback Calculated Property |
| η | 0.0001155 | Pa×s | 630.36 | Joback Calculated Property |
| η | 0.0000732 | Pa×s | 694.64 | Joback Calculated Property |
| η | 0.0000502 | Pa×s | 758.92 | Joback Calculated Property |
| η | 0.0000365 | Pa×s | 823.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, pentyl 3-phenylpropyl ester.
Sources
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