- InChI
- InChI=1S/C14H11ClO2/c15-9-4-10-17-14(16)13-8-3-6-11-5-1-2-7-12(11)13/h1-9H,10H2/b9-4+
- InChI Key
- OAUXYJNCYQYCJW-RUDMXATFSA-N
- Formula
- C14H11ClO2
- SMILES
- O=C(OCC=CCl)c1cccc2ccccc12
- Molecular Weight1
- 246.69
- 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 | 0.5764 | Relay (1.0) Calculated Property | |
| ΔfG° | 110.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -173.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.43 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.89 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.749 | Crippen Calculated Property | |
| McVol | 180.280 | ml/mol | McGowan Calculated Property |
| Pc | 2657.03 | kPa | Joback Calculated Property |
| Inp | 1999.00 | NIST | |
| Tboil | 624.36 | K | Relay (1.0) Calculated Property |
| Tc | 885.35 | K | Relay (1.0) Calculated Property |
| Tfus | 304.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.623 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [436.22; 499.77] | J/mol×K | [688.24; 926.66] | 
|
| Cp,gas | 436.22 | J/mol×K | 688.24 | Joback Calculated Property |
| Cp,gas | 448.98 | J/mol×K | 727.98 | Joback Calculated Property |
| Cp,gas | 460.76 | J/mol×K | 767.71 | Joback Calculated Property |
| Cp,gas | 471.65 | J/mol×K | 807.45 | Joback Calculated Property |
| Cp,gas | 481.72 | J/mol×K | 847.18 | Joback Calculated Property |
| Cp,gas | 491.06 | J/mol×K | 886.92 | Joback Calculated Property |
| Cp,gas | 499.77 | J/mol×K | 926.66 | Joback Calculated Property |
| η | [0.0002145; 0.0012189] | Pa×s | [416.18; 688.24] |
|
| η | 0.0012189 | Pa×s | 416.18 | Joback Calculated Property |
| η | 0.0007915 | Pa×s | 461.52 | Joback Calculated Property |
| η | 0.0005552 | Pa×s | 506.87 | Joback Calculated Property |
| η | 0.0004128 | Pa×s | 552.21 | Joback Calculated Property |
| η | 0.0003211 | Pa×s | 597.55 | Joback Calculated Property |
| η | 0.0002587 | Pa×s | 642.90 | Joback Calculated Property |
| η | 0.0002145 | Pa×s | 688.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Naphthoic acid, 3-chloroprop-2-enyl ester.
Sources
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