- InChI
- InChI=1S/C17H11ClO2/c18-15-8-5-13(6-9-15)17(19)20-16-10-7-12-3-1-2-4-14(12)11-16/h1-11H
- InChI Key
- HFTVSEPAGVIKQA-UHFFFAOYSA-N
- Formula
- C17H11ClO2
- SMILES
-
O=C(Oc1ccc2ccccc2c1)c1ccc(Cl)c
c1 - Molecular Weight1
- 282.72
- 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 | 0.6676 | Relay (... Calculated Property | |
| ΔfG° | 158.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -113.56 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.33 | kJ/mol | Relay (... Calculated Property |
| IE | 8.05 | eV | Relay (... Calculated Property |
| log10WS | -6.14 | Relay (... Calculated Property | |
| logPoct/wat | 4.712 | Crippen Calculated Property | |
| McVol | 203.090 | ml/mol | McGowan Calculated Property |
| Pc | 2592.49 | kPa | Joback Calculated Property |
| Inp | [2424.00; 2424.00] |
|
|
| Inp | 2424.00 | NIST | |
| Inp | 2424.00 | NIST | |
| Tboil | 678.88 | K | Relay (... Calculated Property |
| Tc | 982.57 | K | Relay (... Calculated Property |
| Tfus | 387.23 | K | Relay (... Calculated Property |
| Vc | 0.737 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [524.43; 586.46] | J/mol×K | [784.38; 1043.72] |
|
| Cp,gas | 524.43 | J/mol×K | 784.38 | Joback Calculated Property |
| Cp,gas | 537.35 | J/mol×K | 827.60 | Joback Calculated Property |
| Cp,gas | 549.09 | J/mol×K | 870.83 | Joback Calculated Property |
| Cp,gas | 559.77 | J/mol×K | 914.05 | Joback Calculated Property |
| Cp,gas | 569.49 | J/mol×K | 957.27 | Joback Calculated Property |
| Cp,gas | 578.35 | J/mol×K | 1000.49 | Joback Calculated Property |
| Cp,gas | 586.46 | J/mol×K | 1043.72 | Joback Calculated Property |
| η | [0.0001897; 0.0009274] | Pa×s | [494.01; 784.38] |
|
| η | 0.0009274 | Pa×s | 494.01 | Joback Calculated Property |
| η | 0.0006327 | Pa×s | 542.41 | Joback Calculated Property |
| η | 0.0004595 | Pa×s | 590.80 | Joback Calculated Property |
| η | 0.0003503 | Pa×s | 639.20 | Joback Calculated Property |
| η | 0.0002774 | Pa×s | 687.59 | Joback Calculated Property |
| η | 0.0002266 | Pa×s | 735.99 | Joback Calculated Property |
| η | 0.0001897 | Pa×s | 784.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chlorobenzoic acid, 2-naphthyl ester.
Sources
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