- InChI
- InChI=1S/C25H37Cl3O4/c1-2-3-4-5-8-11-14-19-31-22(29)15-12-9-6-7-10-13-16-23(30)32-25-21(27)18-17-20(26)24(25)28/h17-18H,2-16,19H2,1H3
- InChI Key
- BDESVEIOWYBVDT-UHFFFAOYSA-N
- Formula
- C25H37Cl3O4
- SMILES
-
CCCCCCCCCOC(=O)CCCCCCCCC(=O)Oc
1c(Cl)ccc(Cl)c1Cl - Molecular Weight1
- 507.92
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.2513 | Relay (1.0) Calculated Property | |
| ΔfG° | -260.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1006.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 71.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 134.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.69 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.36 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.967 | Crippen Calculated Property | |
| McVol | 390.950 | ml/mol | McGowan Calculated Property |
| Pc | 890.54 | kPa | Joback Calculated Property |
| Inp | [3545.00; 3545.00] |
|
|
| Inp | 3545.00 | NIST | |
| Inp | 3545.00 | NIST | |
| Tboil | 683.80 | K | Relay (1.0) Calculated Property |
| Tc | 929.06 | K | Relay (1.0) Calculated Property |
| Tfus | 330.41 | K | Relay (1.0) Calculated Property |
| Vc | 1.461 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1251.67; 1307.36] | J/mol×K | [1077.89; 1323.48] |
|
| Cp,gas | 1251.67 | J/mol×K | 1077.89 | Joback Calculated Property |
| Cp,gas | 1265.04 | J/mol×K | 1118.82 | Joback Calculated Property |
| Cp,gas | 1276.70 | J/mol×K | 1159.75 | Joback Calculated Property |
| Cp,gas | 1286.70 | J/mol×K | 1200.69 | Joback Calculated Property |
| Cp,gas | 1295.11 | J/mol×K | 1241.62 | Joback Calculated Property |
| Cp,gas | 1301.98 | J/mol×K | 1282.55 | Joback Calculated Property |
| Cp,gas | 1307.36 | J/mol×K | 1323.48 | Joback Calculated Property |
| η | [0.0000163; 0.0001395] | Pa×s | [669.57; 1077.89] |
|
| η | 0.0001395 | Pa×s | 669.57 | Joback Calculated Property |
| η | 0.0000827 | Pa×s | 737.62 | Joback Calculated Property |
| η | 0.0000536 | Pa×s | 805.68 | Joback Calculated Property |
| η | 0.0000371 | Pa×s | 873.73 | Joback Calculated Property |
| η | 0.0000271 | Pa×s | 941.78 | Joback Calculated Property |
| η | 0.0000207 | Pa×s | 1009.84 | Joback Calculated Property |
| η | 0.0000163 | Pa×s | 1077.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, nonyl 2,3,6-trichlorophenyl ester.
Sources
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