- InChI
- InChI=1S/C21H24O6/c1-24-16-10-6-8-12-18(16)26-20(22)14-4-3-5-15-21(23)27-19-13-9-7-11-17(19)25-2/h6-13H,3-5,14-15H2,1-2H3
- InChI Key
- LPDUDADAIIEINQ-UHFFFAOYSA-N
- Formula
- C21H24O6
- SMILES
-
COc1ccccc1OC(=O)CCCCCC(=O)Oc1c
cccc1OC - Molecular Weight1
- 372.41
- 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° | -346.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -780.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 45.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.35 | kJ/mol | Joback Calculated Property |
| log10WS | -5.24 | Crippen Calculated Property | |
| logPoct/wat | 4.165 | Crippen Calculated Property | |
| McVol | 285.850 | ml/mol | McGowan Calculated Property |
| Pc | 1545.13 | kPa | Joback Calculated Property |
| Inp | [2317.00; 2317.00] |
|
|
| Inp | 2317.00 | NIST | |
| Inp | 2317.00 | NIST | |
| Tboil | 940.62 | K | Joback Calculated Property |
| Tc | 1164.12 | K | Joback Calculated Property |
| Tfus | 593.09 | K | Joback Calculated Property |
| Vc | 1.079 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [892.45; 944.24] | J/mol×K | [940.62; 1164.12] |
|
| Cp,gas | 892.45 | J/mol×K | 940.62 | Joback Calculated Property |
| Cp,gas | 904.95 | J/mol×K | 977.87 | Joback Calculated Property |
| Cp,gas | 915.90 | J/mol×K | 1015.12 | Joback Calculated Property |
| Cp,gas | 925.31 | J/mol×K | 1052.37 | Joback Calculated Property |
| Cp,gas | 933.16 | J/mol×K | 1089.62 | Joback Calculated Property |
| Cp,gas | 939.47 | J/mol×K | 1126.87 | Joback Calculated Property |
| Cp,gas | 944.24 | J/mol×K | 1164.12 | Joback Calculated Property |
| η | [0.0000278; 0.0002084] | Pa×s | [593.09; 940.62] |
|
| η | 0.0002084 | Pa×s | 593.09 | Joback Calculated Property |
| η | 0.0001283 | Pa×s | 651.01 | Joback Calculated Property |
| η | 0.0000855 | Pa×s | 708.93 | Joback Calculated Property |
| η | 0.0000606 | Pa×s | 766.86 | Joback Calculated Property |
| η | 0.0000451 | Pa×s | 824.78 | Joback Calculated Property |
| η | 0.0000348 | Pa×s | 882.70 | Joback Calculated Property |
| η | 0.0000278 | Pa×s | 940.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, di(2-methoxyphenyl) ester.
Sources
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