- InChI
- InChI=1S/C18H25ClO4/c1-14(2)13-23-18(21)16-9-7-8-15(12-16)17(20)22-11-6-4-3-5-10-19/h7-9,12,14H,3-6,10-11,13H2,1-2H3
- InChI Key
- OADQKQJPMMUKCF-UHFFFAOYSA-N
- Formula
- C18H25ClO4
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)OCCCCC
CCl)c1 - Molecular Weight1
- 340.84
- 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° | -278.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -700.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.91 | kJ/mol | Joback Calculated Property |
| log10WS | -5.22 | Crippen Calculated Property | |
| logPoct/wat | 4.455 | Crippen Calculated Property | |
| McVol | 267.840 | ml/mol | McGowan Calculated Property |
| Pc | 1517.57 | kPa | Joback Calculated Property |
| Inp | [2584.00; 2584.00] |
|
|
| Inp | 2584.00 | NIST | |
| Inp | 2584.00 | NIST | |
| Tboil | 832.47 | K | Joback Calculated Property |
| Tc | 1038.76 | K | Joback Calculated Property |
| Tfus | 490.80 | K | Joback Calculated Property |
| Vc | 1.026 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [788.94; 860.90] | J/mol×K | [832.47; 1038.76] |
|
| Cp,gas | 788.94 | J/mol×K | 832.47 | Joback Calculated Property |
| Cp,gas | 803.61 | J/mol×K | 866.85 | Joback Calculated Property |
| Cp,gas | 817.18 | J/mol×K | 901.23 | Joback Calculated Property |
| Cp,gas | 829.67 | J/mol×K | 935.62 | Joback Calculated Property |
| Cp,gas | 841.11 | J/mol×K | 970.00 | Joback Calculated Property |
| Cp,gas | 851.52 | J/mol×K | 1004.38 | Joback Calculated Property |
| Cp,gas | 860.90 | J/mol×K | 1038.76 | Joback Calculated Property |
| η | [0.0000577; 0.0006700] | Pa×s | [490.80; 832.47] |
|
| η | 0.0006700 | Pa×s | 490.80 | Joback Calculated Property |
| η | 0.0003599 | Pa×s | 547.75 | Joback Calculated Property |
| η | 0.0002174 | Pa×s | 604.69 | Joback Calculated Property |
| η | 0.0001432 | Pa×s | 661.63 | Joback Calculated Property |
| η | 0.0001008 | Pa×s | 718.58 | Joback Calculated Property |
| η | 0.0000747 | Pa×s | 775.52 | Joback Calculated Property |
| η | 0.0000577 | Pa×s | 832.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 6-chlorohexyl isobutyl ester.
Sources
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