- InChI
- InChI=1S/C17H15ClO4/c1-2-10-21-16(19)12-4-3-5-13(11-12)17(20)22-15-8-6-14(18)7-9-15/h3-9,11H,2,10H2,1H3
- InChI Key
- JRKBBMOOGDHZIC-UHFFFAOYSA-N
- Formula
- C17H15ClO4
- SMILES
-
CCCOC(=O)c1cccc(C(=O)Oc2ccc(Cl
)cc2)c1 - Molecular Weight1
- 318.75
- 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° | -181.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -449.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.01 | kJ/mol | Joback Calculated Property |
| log10WS | -5.32 | Crippen Calculated Property | |
| logPoct/wat | 4.126 | Crippen Calculated Property | |
| McVol | 229.990 | ml/mol | McGowan Calculated Property |
| Pc | 2137.41 | kPa | Joback Calculated Property |
| Inp | [2568.00; 2568.00] |
|
|
| Inp | 2568.00 | NIST | |
| Inp | 2568.00 | NIST | |
| Tboil | 841.69 | K | Joback Calculated Property |
| Tc | 1076.92 | K | Joback Calculated Property |
| Tfus | 533.47 | K | Joback Calculated Property |
| Vc | 0.869 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [634.29; 690.29] | J/mol×K | [841.69; 1076.92] |
|
| Cp,gas | 634.29 | J/mol×K | 841.69 | Joback Calculated Property |
| Cp,gas | 646.57 | J/mol×K | 880.89 | Joback Calculated Property |
| Cp,gas | 657.64 | J/mol×K | 920.10 | Joback Calculated Property |
| Cp,gas | 667.53 | J/mol×K | 959.30 | Joback Calculated Property |
| Cp,gas | 676.24 | J/mol×K | 998.51 | Joback Calculated Property |
| Cp,gas | 683.82 | J/mol×K | 1037.71 | Joback Calculated Property |
| Cp,gas | 690.29 | J/mol×K | 1076.92 | Joback Calculated Property |
| η | [0.0000747; 0.0005049] | Pa×s | [533.47; 841.69] |
|
| η | 0.0005049 | Pa×s | 533.47 | Joback Calculated Property |
| η | 0.0003193 | Pa×s | 584.84 | Joback Calculated Property |
| η | 0.0002174 | Pa×s | 636.21 | Joback Calculated Property |
| η | 0.0001568 | Pa×s | 687.58 | Joback Calculated Property |
| η | 0.0001183 | Pa×s | 738.95 | Joback Calculated Property |
| η | 0.0000926 | Pa×s | 790.32 | Joback Calculated Property |
| η | 0.0000747 | Pa×s | 841.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 4-chlorophenyl propyl ester.
Sources
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