- InChI
- InChI=1S/C21H31ClO4/c1-3-4-5-6-7-10-15-25-20(23)11-8-9-12-21(24)26-19-16-17(2)13-14-18(19)22/h13-14,16H,3-12,15H2,1-2H3
- InChI Key
- MOEIBISHZDFKLN-UHFFFAOYSA-N
- Formula
- C21H31ClO4
- SMILES
-
CCCCCCCCOC(=O)CCCCC(=O)Oc1cc(C
)ccc1Cl - Molecular Weight1
- 382.92
- 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° | -260.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -768.52 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.64 | kJ/mol | Joback Calculated Property |
| log10WS | -6.83 | Crippen Calculated Property | |
| logPoct/wat | 6.018 | Crippen Calculated Property | |
| McVol | 310.110 | ml/mol | McGowan Calculated Property |
| Pc | 1207.31 | kPa | Joback Calculated Property |
| Inp | [2729.00; 2729.00] |
|
|
| Inp | 2729.00 | NIST | |
| Inp | 2729.00 | NIST | |
| Tboil | 906.53 | K | Joback Calculated Property |
| Tc | 1114.56 | K | Joback Calculated Property |
| Tfus | 552.13 | K | Joback Calculated Property |
| Vc | 1.200 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [963.52; 1036.30] | J/mol×K | [906.53; 1114.56] |
|
| Cp,gas | 963.52 | J/mol×K | 906.53 | Joback Calculated Property |
| Cp,gas | 978.62 | J/mol×K | 941.20 | Joback Calculated Property |
| Cp,gas | 992.49 | J/mol×K | 975.87 | Joback Calculated Property |
| Cp,gas | 1005.17 | J/mol×K | 1010.55 | Joback Calculated Property |
| Cp,gas | 1016.69 | J/mol×K | 1045.22 | Joback Calculated Property |
| Cp,gas | 1027.05 | J/mol×K | 1079.89 | Joback Calculated Property |
| Cp,gas | 1036.30 | J/mol×K | 1114.56 | Joback Calculated Property |
| η | [0.0000416; 0.0003804] | Pa×s | [552.13; 906.53] |
|
| η | 0.0003804 | Pa×s | 552.13 | Joback Calculated Property |
| η | 0.0002201 | Pa×s | 611.20 | Joback Calculated Property |
| η | 0.0001402 | Pa×s | 670.26 | Joback Calculated Property |
| η | 0.0000961 | Pa×s | 729.33 | Joback Calculated Property |
| η | 0.0000697 | Pa×s | 788.40 | Joback Calculated Property |
| η | 0.0000529 | Pa×s | 847.46 | Joback Calculated Property |
| η | 0.0000416 | Pa×s | 906.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, 2-chloro-5-methylphenyl octyl ester.
Sources
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