- InChI
- InChI=1S/C23H27ClO4/c1-2-3-4-5-6-7-8-15-27-22(25)18-11-9-12-19(16-18)23(26)28-21-14-10-13-20(24)17-21/h9-14,16-17H,2-8,15H2,1H3
- InChI Key
- ZGBLSJCERDVFTP-UHFFFAOYSA-N
- Formula
- C23H27ClO4
- SMILES
-
CCCCCCCCCOC(=O)c1cccc(C(=O)Oc2
cccc(Cl)c2)c1 - Molecular Weight1
- 402.91
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0714 | Relay (... Calculated Property | |
| ΔfG° | -131.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -702.74 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 52.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.78 | kJ/mol | Relay (... Calculated Property |
| IE | 8.77 | eV | Relay (... Calculated Property |
| log10WS | -7.43 | Relay (... Calculated Property | |
| logPoct/wat | 6.467 | Crippen Calculated Property | |
| McVol | 314.530 | ml/mol | McGowan Calculated Property |
| Pc | 1332.96 | kPa | Joback Calculated Property |
| Inp | [3198.00; 3198.00] |
|
|
| Inp | 3198.00 | NIST | |
| Inp | 3198.00 | NIST | |
| Tboil | 690.92 | K | Relay (... Calculated Property |
| Tc | 940.52 | K | Relay (... Calculated Property |
| Tfus | 313.10 | K | Relay (... Calculated Property |
| Vc | 1.160 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [978.77; 1036.67] | J/mol×K | [978.97; 1206.69] |
|
| Cp,gas | 978.77 | J/mol×K | 978.97 | Joback Calculated Property |
| Cp,gas | 991.68 | J/mol×K | 1016.92 | Joback Calculated Property |
| Cp,gas | 1003.22 | J/mol×K | 1054.88 | Joback Calculated Property |
| Cp,gas | 1013.44 | J/mol×K | 1092.83 | Joback Calculated Property |
| Cp,gas | 1022.39 | J/mol×K | 1130.78 | Joback Calculated Property |
| Cp,gas | 1030.12 | J/mol×K | 1168.74 | Joback Calculated Property |
| Cp,gas | 1036.67 | J/mol×K | 1206.69 | Joback Calculated Property |
| η | [0.0000321; 0.0002752] | Pa×s | [601.09; 978.97] |
|
| η | 0.0002752 | Pa×s | 601.09 | Joback Calculated Property |
| η | 0.0001623 | Pa×s | 664.07 | Joback Calculated Property |
| η | 0.0001049 | Pa×s | 727.05 | Joback Calculated Property |
| η | 0.0000726 | Pa×s | 790.03 | Joback Calculated Property |
| η | 0.0000531 | Pa×s | 853.01 | Joback Calculated Property |
| η | 0.0000406 | Pa×s | 915.99 | Joback Calculated Property |
| η | 0.0000321 | Pa×s | 978.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3-chlorophenyl nonyl ester.
Sources
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