- InChI
- InChI=1S/C21H30Cl2O4/c1-2-3-4-5-6-10-16-26-19(24)14-8-7-9-15-20(25)27-21-17(22)12-11-13-18(21)23/h11-13H,2-10,14-16H2,1H3
- InChI Key
- WIOLGTLRCIQBOI-UHFFFAOYSA-N
- Formula
- C21H30Cl2O4
- SMILES
-
CCCCCCCCOC(=O)CCCCCC(=O)Oc1c(C
l)cccc1Cl - Molecular Weight1
- 417.37
- 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° | -272.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -784.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.02 | kJ/mol | Joback Calculated Property |
| log10WS | -7.46 | Crippen Calculated Property | |
| logPoct/wat | 6.753 | Crippen Calculated Property | |
| McVol | 322.350 | ml/mol | McGowan Calculated Property |
| Pc | 1176.85 | kPa | Joback Calculated Property |
| Inp | [2982.00; 2982.00] |
|
|
| Inp | 2982.00 | NIST | |
| Inp | 2982.00 | NIST | |
| Tboil | 943.96 | K | Joback Calculated Property |
| Tc | 1158.36 | K | Joback Calculated Property |
| Tfus | 582.05 | K | Joback Calculated Property |
| Vc | 1.250 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [988.45; 1053.76] | J/mol×K | [943.96; 1158.36] |
|
| Cp,gas | 988.45 | J/mol×K | 943.96 | Joback Calculated Property |
| Cp,gas | 1002.36 | J/mol×K | 979.69 | Joback Calculated Property |
| Cp,gas | 1015.03 | J/mol×K | 1015.43 | Joback Calculated Property |
| Cp,gas | 1026.47 | J/mol×K | 1051.16 | Joback Calculated Property |
| Cp,gas | 1036.72 | J/mol×K | 1086.89 | Joback Calculated Property |
| Cp,gas | 1045.81 | J/mol×K | 1122.62 | Joback Calculated Property |
| Cp,gas | 1053.76 | J/mol×K | 1158.36 | Joback Calculated Property |
| η | [0.0000353; 0.0003100] | Pa×s | [582.05; 943.96] |
|
| η | 0.0003100 | Pa×s | 582.05 | Joback Calculated Property |
| η | 0.0001821 | Pa×s | 642.37 | Joback Calculated Property |
| η | 0.0001172 | Pa×s | 702.69 | Joback Calculated Property |
| η | 0.0000809 | Pa×s | 763.00 | Joback Calculated Property |
| η | 0.0000589 | Pa×s | 823.32 | Joback Calculated Property |
| η | 0.0000448 | Pa×s | 883.64 | Joback Calculated Property |
| η | 0.0000353 | Pa×s | 943.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pimelic acid, 2,6-dichlorophenyl octyl ester.
Sources
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