- InChI
- InChI=1S/C15H17ClO3/c16-14(17)12-7-4-8-13(9-12)15(18)19-10-11-5-2-1-3-6-11/h4,7-9,11H,1-3,5-6,10H2
- InChI Key
- OKVMSFMEFZQYOJ-UHFFFAOYSA-N
- Formula
- C15H17ClO3
- SMILES
-
O=C(Cl)c1cccc(C(=O)OCC2CCCCC2)
c1 - Molecular Weight1
- 280.75
- 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° | -172.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -446.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.64 | kJ/mol | Joback Calculated Property |
| log10WS | -4.77 | Crippen Calculated Property | |
| logPoct/wat | 3.803 | Crippen Calculated Property | |
| McVol | 208.840 | ml/mol | McGowan Calculated Property |
| Pc | 2345.09 | kPa | Joback Calculated Property |
| Inp | [2217.00; 2217.00] |
|
|
| Inp | 2217.00 | NIST | |
| Inp | 2217.00 | NIST | |
| Tboil | 761.40 | K | Joback Calculated Property |
| Tc | 1000.82 | K | Joback Calculated Property |
| Tfus | 457.14 | K | Joback Calculated Property |
| Vc | 0.779 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [585.96; 661.69] | J/mol×K | [761.40; 1000.82] |
|
| Cp,gas | 585.96 | J/mol×K | 761.40 | Joback Calculated Property |
| Cp,gas | 601.91 | J/mol×K | 801.30 | Joback Calculated Property |
| Cp,gas | 616.47 | J/mol×K | 841.21 | Joback Calculated Property |
| Cp,gas | 629.69 | J/mol×K | 881.11 | Joback Calculated Property |
| Cp,gas | 641.60 | J/mol×K | 921.01 | Joback Calculated Property |
| Cp,gas | 652.25 | J/mol×K | 960.91 | Joback Calculated Property |
| Cp,gas | 661.69 | J/mol×K | 1000.82 | Joback Calculated Property |
| η | [0.0001295; 0.0012734] | Pa×s | [457.14; 761.40] |
|
| η | 0.0012734 | Pa×s | 457.14 | Joback Calculated Property |
| η | 0.0007193 | Pa×s | 507.85 | Joback Calculated Property |
| η | 0.0004507 | Pa×s | 558.56 | Joback Calculated Property |
| η | 0.0003052 | Pa×s | 609.27 | Joback Calculated Property |
| η | 0.0002195 | Pa×s | 659.98 | Joback Calculated Property |
| η | 0.0001654 | Pa×s | 710.69 | Joback Calculated Property |
| η | 0.0001295 | Pa×s | 761.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, monochloride, cyclohexylmethyl ester.
Sources
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