- InChI
- InChI=1S/C17H23ClO4/c1-2-3-4-5-6-11-21-16(19)14-8-7-9-15(13-14)17(20)22-12-10-18/h7-9,13H,2-6,10-12H2,1H3
- InChI Key
- BKFZIAUFPIXTNT-UHFFFAOYSA-N
- Formula
- C17H23ClO4
- SMILES
-
CCCCCCCOC(=O)c1cccc(C(=O)OCCCl
)c1 - Molecular Weight1
- 326.81
- 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 | 0.9464 | Relay (1.0) Calculated Property | |
| ΔfG° | -284.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -804.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 43.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.37 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.49 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.64 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.209 | Crippen Calculated Property | |
| McVol | 253.750 | ml/mol | McGowan Calculated Property |
| Pc | 1627.22 | kPa | Joback Calculated Property |
| Inp | [2471.00; 2471.00] |
|
|
| Inp | 2471.00 | NIST | |
| Inp | 2471.00 | NIST | |
| Tboil | 632.05 | K | Relay (1.0) Calculated Property |
| Tc | 843.00 | K | Relay (1.0) Calculated Property |
| Tfus | 294.02 | K | Relay (1.0) Calculated Property |
| Vc | 0.935 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [731.34; 801.99] | J/mol×K | [810.03; 1014.58] |
|
| Cp,gas | 731.34 | J/mol×K | 810.03 | Joback Calculated Property |
| Cp,gas | 745.62 | J/mol×K | 844.12 | Joback Calculated Property |
| Cp,gas | 758.88 | J/mol×K | 878.21 | Joback Calculated Property |
| Cp,gas | 771.12 | J/mol×K | 912.30 | Joback Calculated Property |
| Cp,gas | 782.38 | J/mol×K | 946.39 | Joback Calculated Property |
| Cp,gas | 792.66 | J/mol×K | 980.49 | Joback Calculated Property |
| Cp,gas | 801.99 | J/mol×K | 1014.58 | Joback Calculated Property |
| η | [0.0000722; 0.0006561] | Pa×s | [494.53; 810.03] |
|
| η | 0.0006561 | Pa×s | 494.53 | Joback Calculated Property |
| η | 0.0003807 | Pa×s | 547.11 | Joback Calculated Property |
| η | 0.0002430 | Pa×s | 599.70 | Joback Calculated Property |
| η | 0.0001667 | Pa×s | 652.28 | Joback Calculated Property |
| η | 0.0001210 | Pa×s | 704.86 | Joback Calculated Property |
| η | 0.0000918 | Pa×s | 757.45 | Joback Calculated Property |
| η | 0.0000722 | Pa×s | 810.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-chloroethyl heptyl ester.
Sources
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