- InChI
- InChI=1S/C13H17ClO3/c1-16-11-6-8-12(9-7-11)17-13(15)5-3-2-4-10-14/h6-9H,2-5,10H2,1H3
- InChI Key
- WIUNAWMQMZCBAR-UHFFFAOYSA-N
- Formula
- C13H17ClO3
- SMILES
- COc1ccc(OC(=O)CCCCCCl)cc1
- Molecular Weight1
- 256.73
- 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 | 0.7693 | Relay (1.0) Calculated Property | |
| ΔfG° | -189.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -534.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.00 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.400 | Crippen Calculated Property | |
| McVol | 195.820 | ml/mol | McGowan Calculated Property |
| Pc | 2147.32 | kPa | Joback Calculated Property |
| Inp | [1968.00; 1968.00] |
|
|
| Inp | 1968.00 | NIST | |
| Inp | 1968.00 | NIST | |
| Tboil | 594.23 | K | Relay (1.0) Calculated Property |
| Tc | 810.45 | K | Relay (1.0) Calculated Property |
| Tfus | 311.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.708 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [497.37; 571.04] | J/mol×K | [664.64; 870.26] |
|
| Cp,gas | 497.37 | J/mol×K | 664.64 | Joback Calculated Property |
| Cp,gas | 511.71 | J/mol×K | 698.91 | Joback Calculated Property |
| Cp,gas | 525.21 | J/mol×K | 733.18 | Joback Calculated Property |
| Cp,gas | 537.89 | J/mol×K | 767.45 | Joback Calculated Property |
| Cp,gas | 549.74 | J/mol×K | 801.72 | Joback Calculated Property |
| Cp,gas | 560.79 | J/mol×K | 835.99 | Joback Calculated Property |
| Cp,gas | 571.04 | J/mol×K | 870.26 | Joback Calculated Property |
| η | [0.0001221; 0.0010749] | Pa×s | [399.52; 664.64] |
|
| η | 0.0010749 | Pa×s | 399.52 | Joback Calculated Property |
| η | 0.0006245 | Pa×s | 443.71 | Joback Calculated Property |
| η | 0.0004004 | Pa×s | 487.89 | Joback Calculated Property |
| η | 0.0002763 | Pa×s | 532.08 | Joback Calculated Property |
| η | 0.0002019 | Pa×s | 576.27 | Joback Calculated Property |
| η | 0.0001542 | Pa×s | 620.45 | Joback Calculated Property |
| η | 0.0001221 | Pa×s | 664.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Chlorohexanoic acid, 4-methoxyphenyl ester.
Sources
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