- InChI
- InChI=1S/C12H15ClO3/c1-15-10-5-7-11(8-6-10)16-12(14)4-2-3-9-13/h5-8H,2-4,9H2,1H3
- InChI Key
- KGAVHPXSHLZLNB-UHFFFAOYSA-N
- Formula
- C12H15ClO3
- SMILES
- COc1ccc(OC(=O)CCCCCl)cc1
- Molecular Weight1
- 242.70
- 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 | 0.7282 | Relay (1.0) Calculated Property | |
| ΔfG° | -197.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -513.97 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.010 | Crippen Calculated Property | |
| McVol | 181.730 | ml/mol | McGowan Calculated Property |
| Pc | 2351.92 | kPa | Joback Calculated Property |
| Inp | [1849.00; 1849.00] |
|
|
| Inp | 1849.00 | NIST | |
| Inp | 1849.00 | NIST | |
| Tboil | 585.97 | K | Relay (1.0) Calculated Property |
| Tc | 799.55 | K | Relay (1.0) Calculated Property |
| Tfus | 310.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.653 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [446.54; 517.34] | J/mol×K | [641.76; 850.40] |
|
| Cp,gas | 446.54 | J/mol×K | 641.76 | Joback Calculated Property |
| Cp,gas | 460.30 | J/mol×K | 676.53 | Joback Calculated Property |
| Cp,gas | 473.27 | J/mol×K | 711.31 | Joback Calculated Property |
| Cp,gas | 485.45 | J/mol×K | 746.08 | Joback Calculated Property |
| Cp,gas | 496.85 | J/mol×K | 780.85 | Joback Calculated Property |
| Cp,gas | 507.48 | J/mol×K | 815.63 | Joback Calculated Property |
| Cp,gas | 517.34 | J/mol×K | 850.40 | Joback Calculated Property |
| η | [0.0001367; 0.0011397] | Pa×s | [388.25; 641.76] |
|
| η | 0.0011397 | Pa×s | 388.25 | Joback Calculated Property |
| η | 0.0006730 | Pa×s | 430.50 | Joback Calculated Property |
| η | 0.0004366 | Pa×s | 472.75 | Joback Calculated Property |
| η | 0.0003041 | Pa×s | 515.00 | Joback Calculated Property |
| η | 0.0002237 | Pa×s | 557.26 | Joback Calculated Property |
| η | 0.0001719 | Pa×s | 599.51 | Joback Calculated Property |
| η | 0.0001367 | Pa×s | 641.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, 4-methoxyphenyl ester.
Sources
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