- InChI
- InChI=1S/C16H17ClO2/c17-11-5-1-2-8-16(18)19-15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12H,1-2,5,8,11H2
- InChI Key
- BPYZYGDDNGIIMV-UHFFFAOYSA-N
- Formula
- C16H17ClO2
- SMILES
- O=C(CCCCCCl)Oc1ccc2ccccc2c1
- Molecular Weight1
- 276.76
- 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° | 47.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -217.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.33 | kJ/mol | Joback Calculated Property |
| log10WS | -5.42 | Crippen Calculated Property | |
| logPoct/wat | 4.544 | Crippen Calculated Property | |
| McVol | 212.760 | ml/mol | McGowan Calculated Property |
| Pc | 2096.50 | kPa | Joback Calculated Property |
| Inp | 2302.00 | NIST | |
| Tboil | 729.84 | K | Joback Calculated Property |
| Tc | 951.12 | K | Joback Calculated Property |
| Tfus | 443.80 | K | Joback Calculated Property |
| Vc | 0.819 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [563.50; 635.99] | J/mol×K | [729.84; 951.12] | 
|
| Cp,gas | 563.50 | J/mol×K | 729.84 | Joback Calculated Property |
| Cp,gas | 577.86 | J/mol×K | 766.72 | Joback Calculated Property |
| Cp,gas | 591.22 | J/mol×K | 803.60 | Joback Calculated Property |
| Cp,gas | 603.65 | J/mol×K | 840.48 | Joback Calculated Property |
| Cp,gas | 615.21 | J/mol×K | 877.36 | Joback Calculated Property |
| Cp,gas | 625.97 | J/mol×K | 914.24 | Joback Calculated Property |
| Cp,gas | 635.99 | J/mol×K | 951.12 | Joback Calculated Property |
| η | [0.0002024; 0.0012279] | Pa×s | [443.80; 729.84] |
|
| η | 0.0012279 | Pa×s | 443.80 | Joback Calculated Property |
| η | 0.0007860 | Pa×s | 491.47 | Joback Calculated Property |
| η | 0.0005444 | Pa×s | 539.15 | Joback Calculated Property |
| η | 0.0004002 | Pa×s | 586.82 | Joback Calculated Property |
| η | 0.0003082 | Pa×s | 634.49 | Joback Calculated Property |
| η | 0.0002461 | Pa×s | 682.17 | Joback Calculated Property |
| η | 0.0002024 | Pa×s | 729.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Chlorohexanoic acid, 2-naphthyl ester.
Sources
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