- InChI
- InChI=1S/C14H9ClO3/c15-13(16)10-5-4-6-11(9-10)14(17)18-12-7-2-1-3-8-12/h1-9H
- InChI Key
- RPVOSOKUGZNNQU-UHFFFAOYSA-N
- Formula
- C14H9ClO3
- SMILES
-
O=C(Cl)c1cccc(C(=O)Oc2ccccc2)c
1 - Molecular Weight1
- 260.67
- 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° | -92.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -243.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.26 | kJ/mol | Joback Calculated Property |
| log10WS | -4.45 | Crippen Calculated Property | |
| logPoct/wat | 3.285 | Crippen Calculated Property | |
| McVol | 181.850 | ml/mol | McGowan Calculated Property |
| Pc | 2944.08 | kPa | Joback Calculated Property |
| Inp | [2328.00; 2328.00] |
|
|
| Inp | 2328.00 | NIST | |
| Inp | 2328.00 | NIST | |
| Tboil | 745.65 | K | Joback Calculated Property |
| Tc | 996.99 | K | Joback Calculated Property |
| Tfus | 464.91 | K | Joback Calculated Property |
| Vc | 0.682 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [450.76; 505.88] | J/mol×K | [745.65; 996.99] |
|
| Cp,gas | 450.76 | J/mol×K | 745.65 | Joback Calculated Property |
| Cp,gas | 462.65 | J/mol×K | 787.54 | Joback Calculated Property |
| Cp,gas | 473.38 | J/mol×K | 829.43 | Joback Calculated Property |
| Cp,gas | 483.02 | J/mol×K | 871.32 | Joback Calculated Property |
| Cp,gas | 491.62 | J/mol×K | 913.21 | Joback Calculated Property |
| Cp,gas | 499.22 | J/mol×K | 955.10 | Joback Calculated Property |
| Cp,gas | 505.88 | J/mol×K | 996.99 | Joback Calculated Property |
| η | [0.0001417; 0.0010141] | Pa×s | [464.91; 745.65] |
|
| η | 0.0010141 | Pa×s | 464.91 | Joback Calculated Property |
| η | 0.0006288 | Pa×s | 511.70 | Joback Calculated Property |
| η | 0.0004224 | Pa×s | 558.49 | Joback Calculated Property |
| η | 0.0003017 | Pa×s | 605.28 | Joback Calculated Property |
| η | 0.0002262 | Pa×s | 652.07 | Joback Calculated Property |
| η | 0.0001763 | Pa×s | 698.86 | Joback Calculated Property |
| η | 0.0001417 | Pa×s | 745.65 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, monochloride, phenyl ester.
Sources
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