- InChI
- InChI=1S/C18H12Cl2O2/c19-15-9-4-10-16(18(15)20)22-17(21)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2
- InChI Key
- GAISTWFBFLMFJV-UHFFFAOYSA-N
- Formula
- C18H12Cl2O2
- SMILES
-
O=C(Cc1cccc2ccccc12)Oc1cccc(Cl
)c1Cl - Molecular Weight1
- 331.19
- 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° | 145.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -61.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.77 | kJ/mol | Joback Calculated Property |
| log10WS | -6.57 | Crippen Calculated Property | |
| logPoct/wat | 5.295 | Crippen Calculated Property | |
| McVol | 229.420 | ml/mol | McGowan Calculated Property |
| Pc | 2241.88 | kPa | Joback Calculated Property |
| Inp | [1297.00; 1297.00] |
|
|
| Inp | 1297.00 | NIST | |
| Inp | 1297.00 | NIST | |
| Tboil | 849.67 | K | Joback Calculated Property |
| Tc | 1105.76 | K | Joback Calculated Property |
| Tfus | 547.72 | K | Joback Calculated Property |
| Vc | 0.872 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [597.65; 655.16] | J/mol×K | [849.67; 1105.76] |
|
| Cp,gas | 597.65 | J/mol×K | 849.67 | Joback Calculated Property |
| Cp,gas | 609.54 | J/mol×K | 892.35 | Joback Calculated Property |
| Cp,gas | 620.38 | J/mol×K | 935.03 | Joback Calculated Property |
| Cp,gas | 630.26 | J/mol×K | 977.71 | Joback Calculated Property |
| Cp,gas | 639.28 | J/mol×K | 1020.39 | Joback Calculated Property |
| Cp,gas | 647.55 | J/mol×K | 1063.08 | Joback Calculated Property |
| Cp,gas | 655.16 | J/mol×K | 1105.76 | Joback Calculated Property |
| η | [0.0001559; 0.0007080] | Pa×s | [547.72; 849.67] |
|
| η | 0.0007080 | Pa×s | 547.72 | Joback Calculated Property |
| η | 0.0004948 | Pa×s | 598.05 | Joback Calculated Property |
| η | 0.0003656 | Pa×s | 648.37 | Joback Calculated Property |
| η | 0.0002822 | Pa×s | 698.70 | Joback Calculated Property |
| η | 0.0002255 | Pa×s | 749.02 | Joback Calculated Property |
| η | 0.0001854 | Pa×s | 799.35 | Joback Calculated Property |
| η | 0.0001559 | Pa×s | 849.67 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthaleneacetic acid, 2,3-dichlorophenyl ester.
Sources
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