- InChI
- InChI=1S/C23H35ClO4/c1-18(2)11-10-16-27-22(25)12-8-6-4-5-7-9-13-23(26)28-21-17-19(3)14-15-20(21)24/h14-15,17-18H,4-13,16H2,1-3H3
- InChI Key
- WDVHCQAVKUFGRC-UHFFFAOYSA-N
- Formula
- C23H35ClO4
- SMILES
-
Cc1ccc(Cl)c(OC(=O)CCCCCCCCC(=O
)OCCCC(C)C)c1 - Molecular Weight1
- 410.98
- 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° | -246.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -815.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.70 | kJ/mol | Joback Calculated Property |
| log10WS | -7.43 | Crippen Calculated Property | |
| logPoct/wat | 6.654 | Crippen Calculated Property | |
| McVol | 338.290 | ml/mol | McGowan Calculated Property |
| Pc | 1066.57 | kPa | Joback Calculated Property |
| Inp | [2946.00; 2946.00] |
|
|
| Inp | 2946.00 | NIST | |
| Inp | 2946.00 | NIST | |
| Tboil | 951.85 | K | Joback Calculated Property |
| Tc | 1166.48 | K | Joback Calculated Property |
| Tfus | 559.67 | K | Joback Calculated Property |
| Vc | 1.306 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1084.61; 1157.71] | J/mol×K | [951.85; 1166.48] |
|
| Cp,gas | 1084.61 | J/mol×K | 951.85 | Joback Calculated Property |
| Cp,gas | 1100.12 | J/mol×K | 987.62 | Joback Calculated Property |
| Cp,gas | 1114.25 | J/mol×K | 1023.39 | Joback Calculated Property |
| Cp,gas | 1127.04 | J/mol×K | 1059.16 | Joback Calculated Property |
| Cp,gas | 1138.53 | J/mol×K | 1094.93 | Joback Calculated Property |
| Cp,gas | 1148.74 | J/mol×K | 1130.70 | Joback Calculated Property |
| Cp,gas | 1157.71 | J/mol×K | 1166.48 | Joback Calculated Property |
| η | [0.0000282; 0.0003328] | Pa×s | [559.67; 951.85] |
|
| η | 0.0003328 | Pa×s | 559.67 | Joback Calculated Property |
| η | 0.0001779 | Pa×s | 625.03 | Joback Calculated Property |
| η | 0.0001070 | Pa×s | 690.40 | Joback Calculated Property |
| η | 0.0000703 | Pa×s | 755.76 | Joback Calculated Property |
| η | 0.0000494 | Pa×s | 821.12 | Joback Calculated Property |
| η | 0.0000366 | Pa×s | 886.49 | Joback Calculated Property |
| η | 0.0000282 | Pa×s | 951.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-chloro-5-methylphenyl isohexyl ester.
Sources
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