- InChI
- InChI=1S/C16H23ClO3/c1-3-4-5-10-20-16(18)7-6-11-19-15-9-8-14(17)12-13(15)2/h8-9,12H,3-7,10-11H2,1-2H3
- InChI Key
- LAMDMGFZZQRCSZ-UHFFFAOYSA-N
- Formula
- C16H23ClO3
- SMILES
- CCCCCOC(=O)CCCOc1ccc(Cl)cc1C
- Molecular Weight1
- 298.81
- 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 | 0.8155 | Relay (1.0) Calculated Property | |
| ΔfG° | -173.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -635.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.541 | Crippen Calculated Property | |
| McVol | 238.090 | ml/mol | McGowan Calculated Property |
| Pc | 1651.11 | kPa | Joback Calculated Property |
| Inp | [2589.00; 2589.00] |
|
|
| Inp | 2589.00 | NIST | |
| Inp | 2589.00 | NIST | |
| Tboil | 617.05 | K | Relay (1.0) Calculated Property |
| Tc | 808.66 | K | Relay (1.0) Calculated Property |
| Tfus | 286.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.884 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [657.14; 736.38] | J/mol×K | [738.26; 937.97] |
|
| Cp,gas | 657.14 | J/mol×K | 738.26 | Joback Calculated Property |
| Cp,gas | 672.63 | J/mol×K | 771.54 | Joback Calculated Property |
| Cp,gas | 687.20 | J/mol×K | 804.83 | Joback Calculated Property |
| Cp,gas | 700.85 | J/mol×K | 838.11 | Joback Calculated Property |
| Cp,gas | 713.59 | J/mol×K | 871.40 | Joback Calculated Property |
| Cp,gas | 725.43 | J/mol×K | 904.68 | Joback Calculated Property |
| Cp,gas | 736.38 | J/mol×K | 937.97 | Joback Calculated Property |
| η | [0.0000848; 0.0007211] | Pa×s | [445.85; 738.26] |
|
| η | 0.0007211 | Pa×s | 445.85 | Joback Calculated Property |
| η | 0.0004234 | Pa×s | 494.59 | Joback Calculated Property |
| η | 0.0002735 | Pa×s | 543.32 | Joback Calculated Property |
| η | 0.0001898 | Pa×s | 592.06 | Joback Calculated Property |
| η | 0.0001393 | Pa×s | 640.79 | Joback Calculated Property |
| η | 0.0001068 | Pa×s | 689.52 | Joback Calculated Property |
| η | 0.0000848 | Pa×s | 738.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(4-Chloro-2-methylphenoxy)butyric acid, pentyl ester.
Sources
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