- InChI
- InChI=1S/C13H17ClO2/c1-10-7-11(2)9-12(8-10)16-13(15)5-3-4-6-14/h7-9H,3-6H2,1-2H3
- InChI Key
- ZZLQVNHJJPBAPS-UHFFFAOYSA-N
- Formula
- C13H17ClO2
- SMILES
- Cc1cc(C)cc(OC(=O)CCCCCl)c1
- Molecular Weight1
- 240.73
- 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° | -94.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -358.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.67 | kJ/mol | Joback Calculated Property |
| log10WS | -4.15 | Crippen Calculated Property | |
| logPoct/wat | 3.618 | Crippen Calculated Property | |
| McVol | 189.950 | ml/mol | McGowan Calculated Property |
| Pc | 2151.31 | kPa | Joback Calculated Property |
| Inp | [1788.00; 1788.00] |
|
|
| Inp | 1788.00 | NIST | |
| Inp | 1788.00 | NIST | |
| Tboil | 647.20 | K | Joback Calculated Property |
| Tc | 855.70 | K | Joback Calculated Property |
| Tfus | 389.81 | K | Joback Calculated Property |
| Vc | 0.729 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [470.66; 545.31] | J/mol×K | [647.20; 855.70] |
|
| Cp,gas | 470.66 | J/mol×K | 647.20 | Joback Calculated Property |
| Cp,gas | 485.09 | J/mol×K | 681.95 | Joback Calculated Property |
| Cp,gas | 498.71 | J/mol×K | 716.70 | Joback Calculated Property |
| Cp,gas | 511.53 | J/mol×K | 751.45 | Joback Calculated Property |
| Cp,gas | 523.56 | J/mol×K | 786.20 | Joback Calculated Property |
| Cp,gas | 534.81 | J/mol×K | 820.95 | Joback Calculated Property |
| Cp,gas | 545.31 | J/mol×K | 855.70 | Joback Calculated Property |
| η | [0.0001547; 0.0011960] | Pa×s | [389.81; 647.20] |
|
| η | 0.0011960 | Pa×s | 389.81 | Joback Calculated Property |
| η | 0.0007183 | Pa×s | 432.71 | Joback Calculated Property |
| η | 0.0004729 | Pa×s | 475.61 | Joback Calculated Property |
| η | 0.0003337 | Pa×s | 518.50 | Joback Calculated Property |
| η | 0.0002483 | Pa×s | 561.40 | Joback Calculated Property |
| η | 0.0001927 | Pa×s | 604.30 | Joback Calculated Property |
| η | 0.0001547 | Pa×s | 647.20 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Chlorovaleric acid, 3,5-dimethylphenyl ester.
Sources
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