- InChI
- InChI=1S/C20H29ClO4/c1-2-3-4-8-14-24-19(22)17-11-10-12-18(16-17)20(23)25-15-9-6-5-7-13-21/h10-12,16H,2-9,13-15H2,1H3
- InChI Key
- SYLSQJRESZUAGM-UHFFFAOYSA-N
- Formula
- C20H29ClO4
- SMILES
-
CCCCCCOC(=O)c1cccc(C(=O)OCCCCC
CCl)c1 - Molecular Weight1
- 368.89
- 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° | -259.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -736.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.75 | kJ/mol | Joback Calculated Property |
| log10WS | -6.30 | Crippen Calculated Property | |
| logPoct/wat | 5.380 | Crippen Calculated Property | |
| McVol | 296.020 | ml/mol | McGowan Calculated Property |
| Pc | 1306.12 | kPa | Joback Calculated Property |
| Inp | [2835.00; 2835.00] |
|
|
| Inp | 2835.00 | NIST | |
| Inp | 2835.00 | NIST | |
| Tboil | 878.67 | K | Joback Calculated Property |
| Tc | 1084.02 | K | Joback Calculated Property |
| Tfus | 528.34 | K | Joback Calculated Property |
| Vc | 1.145 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [904.96; 978.02] | J/mol×K | [878.67; 1084.02] |
|
| Cp,gas | 904.96 | J/mol×K | 878.67 | Joback Calculated Property |
| Cp,gas | 919.93 | J/mol×K | 912.90 | Joback Calculated Property |
| Cp,gas | 933.75 | J/mol×K | 947.12 | Joback Calculated Property |
| Cp,gas | 946.44 | J/mol×K | 981.35 | Joback Calculated Property |
| Cp,gas | 958.03 | J/mol×K | 1015.57 | Joback Calculated Property |
| Cp,gas | 968.55 | J/mol×K | 1049.80 | Joback Calculated Property |
| Cp,gas | 978.02 | J/mol×K | 1084.02 | Joback Calculated Property |
| η | [0.0000473; 0.0004842] | Pa×s | [528.34; 878.67] |
|
| η | 0.0004842 | Pa×s | 528.34 | Joback Calculated Property |
| η | 0.0002709 | Pa×s | 586.73 | Joback Calculated Property |
| η | 0.0001684 | Pa×s | 645.12 | Joback Calculated Property |
| η | 0.0001132 | Pa×s | 703.50 | Joback Calculated Property |
| η | 0.0000809 | Pa×s | 761.89 | Joback Calculated Property |
| η | 0.0000607 | Pa×s | 820.28 | Joback Calculated Property |
| η | 0.0000473 | Pa×s | 878.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 6-chlorohexyl hexyl ester.
Sources
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