- InChI
- InChI=1S/C21H31ClO4/c1-16(2)15-25-20(23)10-8-6-4-5-7-9-11-21(24)26-18-12-13-19(22)17(3)14-18/h12-14,16H,4-11,15H2,1-3H3
- InChI Key
- SMAFURAKYBDVFC-UHFFFAOYSA-N
- Formula
- C21H31ClO4
- SMILES
-
Cc1cc(OC(=O)CCCCCCCCC(=O)OCC(C
)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° | -263.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -773.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.25 | kJ/mol | Joback Calculated Property |
| log10WS | -6.59 | Crippen Calculated Property | |
| logPoct/wat | 5.874 | Crippen Calculated Property | |
| McVol | 310.110 | ml/mol | McGowan Calculated Property |
| Pc | 1214.05 | kPa | Joback Calculated Property |
| Inp | 2813.00 | NIST | |
| Tboil | 906.09 | K | Joback Calculated Property |
| Tc | 1115.27 | K | Joback Calculated Property |
| Tfus | 537.13 | K | Joback Calculated Property |
| Vc | 1.194 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [964.01; 1036.72] | J/mol×K | [906.09; 1115.27] | 
|
| Cp,gas | 964.01 | J/mol×K | 906.09 | Joback Calculated Property |
| Cp,gas | 979.15 | J/mol×K | 940.95 | Joback Calculated Property |
| Cp,gas | 993.05 | J/mol×K | 975.82 | Joback Calculated Property |
| Cp,gas | 1005.74 | J/mol×K | 1010.68 | Joback Calculated Property |
| Cp,gas | 1017.23 | J/mol×K | 1045.55 | Joback Calculated Property |
| Cp,gas | 1027.55 | J/mol×K | 1080.41 | Joback Calculated Property |
| Cp,gas | 1036.72 | J/mol×K | 1115.27 | Joback Calculated Property |
| η | [0.0000380; 0.0004181] | Pa×s | [537.13; 906.09] |
|
| η | 0.0004181 | Pa×s | 537.13 | Joback Calculated Property |
| η | 0.0002283 | Pa×s | 598.62 | Joback Calculated Property |
| η | 0.0001395 | Pa×s | 660.12 | Joback Calculated Property |
| η | 0.0000927 | Pa×s | 721.61 | Joback Calculated Property |
| η | 0.0000657 | Pa×s | 783.10 | Joback Calculated Property |
| η | 0.0000490 | Pa×s | 844.60 | Joback Calculated Property |
| η | 0.0000380 | Pa×s | 906.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 4-chloro-3-methylphenyl isobutyl ester.
Sources
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