- InChI
- InChI=1S/C18H17ClO4/c1-2-3-11-22-17(20)13-5-4-6-14(12-13)18(21)23-16-9-7-15(19)8-10-16/h4-10,12H,2-3,11H2,1H3
- InChI Key
- AYKQEOHABKNHQA-UHFFFAOYSA-N
- Formula
- C18H17ClO4
- SMILES
-
CCCCOC(=O)c1cccc(C(=O)Oc2ccc(C
l)cc2)c1 - Molecular Weight1
- 332.78
- 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° | -173.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -470.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.23 | kJ/mol | Joback Calculated Property |
| log10WS | -5.74 | Crippen Calculated Property | |
| logPoct/wat | 4.516 | Crippen Calculated Property | |
| McVol | 244.080 | ml/mol | McGowan Calculated Property |
| Pc | 1959.60 | kPa | Joback Calculated Property |
| Inp | [2680.00; 2680.00] |
|
|
| Inp | 2680.00 | NIST | |
| Inp | 2680.00 | NIST | |
| Tboil | 864.57 | K | Joback Calculated Property |
| Tc | 1096.73 | K | Joback Calculated Property |
| Tfus | 544.74 | K | Joback Calculated Property |
| Vc | 0.924 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [689.86; 746.70] | J/mol×K | [864.57; 1096.73] |
|
| Cp,gas | 689.86 | J/mol×K | 864.57 | Joback Calculated Property |
| Cp,gas | 702.33 | J/mol×K | 903.26 | Joback Calculated Property |
| Cp,gas | 713.55 | J/mol×K | 941.96 | Joback Calculated Property |
| Cp,gas | 723.58 | J/mol×K | 980.65 | Joback Calculated Property |
| Cp,gas | 732.42 | J/mol×K | 1019.35 | Joback Calculated Property |
| Cp,gas | 740.12 | J/mol×K | 1058.04 | Joback Calculated Property |
| Cp,gas | 746.70 | J/mol×K | 1096.73 | Joback Calculated Property |
| η | [0.0000653; 0.0004610] | Pa×s | [544.74; 864.57] |
|
| η | 0.0004610 | Pa×s | 544.74 | Joback Calculated Property |
| η | 0.0002879 | Pa×s | 598.04 | Joback Calculated Property |
| η | 0.0001942 | Pa×s | 651.35 | Joback Calculated Property |
| η | 0.0001390 | Pa×s | 704.65 | Joback Calculated Property |
| η | 0.0001043 | Pa×s | 757.96 | Joback Calculated Property |
| η | 0.0000813 | Pa×s | 811.26 | Joback Calculated Property |
| η | 0.0000653 | Pa×s | 864.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, butyl 4-chlorophenyl ester.
Sources
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