- InChI
- InChI=1S/C18H13ClO2/c19-15-8-4-9-16(12-15)21-18(20)11-14-7-3-6-13-5-1-2-10-17(13)14/h1-10,12H,11H2
- InChI Key
- XNTAOMRNPHSFMO-UHFFFAOYSA-N
- Formula
- C18H13ClO2
- SMILES
-
O=C(Cc1cccc2ccccc12)Oc1cccc(Cl
)c1 - Molecular Weight1
- 296.75
- 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° | 167.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -34.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.72 | kJ/mol | Joback Calculated Property |
| log10WS | -5.89 | Crippen Calculated Property | |
| logPoct/wat | 4.641 | Crippen Calculated Property | |
| McVol | 217.180 | ml/mol | McGowan Calculated Property |
| Pc | 2356.49 | kPa | Joback Calculated Property |
| Inp | [3065.00; 3065.00] |
|
|
| Inp | 3065.00 | NIST | |
| Inp | 3065.00 | NIST | |
| Tboil | 807.26 | K | Joback Calculated Property |
| Tc | 1061.03 | K | Joback Calculated Property |
| Tfus | 505.28 | K | Joback Calculated Property |
| Vc | 0.823 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [578.01; 642.38] | J/mol×K | [807.26; 1061.03] |
|
| Cp,gas | 578.01 | J/mol×K | 807.26 | Joback Calculated Property |
| Cp,gas | 591.29 | J/mol×K | 849.56 | Joback Calculated Property |
| Cp,gas | 603.40 | J/mol×K | 891.85 | Joback Calculated Property |
| Cp,gas | 614.47 | J/mol×K | 934.15 | Joback Calculated Property |
| Cp,gas | 624.58 | J/mol×K | 976.44 | Joback Calculated Property |
| Cp,gas | 633.85 | J/mol×K | 1018.74 | Joback Calculated Property |
| Cp,gas | 642.38 | J/mol×K | 1061.03 | Joback Calculated Property |
| η | [0.0001699; 0.0008735] | Pa×s | [505.28; 807.26] |
|
| η | 0.0008735 | Pa×s | 505.28 | Joback Calculated Property |
| η | 0.0005876 | Pa×s | 555.61 | Joback Calculated Property |
| η | 0.0004222 | Pa×s | 605.94 | Joback Calculated Property |
| η | 0.0003191 | Pa×s | 656.27 | Joback Calculated Property |
| η | 0.0002510 | Pa×s | 706.60 | Joback Calculated Property |
| η | 0.0002038 | Pa×s | 756.93 | Joback Calculated Property |
| η | 0.0001699 | Pa×s | 807.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthaleneacetic acid, 3-chlorophenyl ester.
Sources
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