- InChI
- InChI=1S/C15H21ClO3/c1-3-4-9-19-15(17)6-5-10-18-14-8-7-13(16)11-12(14)2/h7-8,11H,3-6,9-10H2,1-2H3
- InChI Key
- KOXLMFVJUQQBIY-UHFFFAOYSA-N
- Formula
- C15H21ClO3
- SMILES
- CCCCOC(=O)CCCOc1ccc(Cl)cc1C
- Molecular Weight1
- 284.78
- 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 | 0.7754 | Relay (1.0) Calculated Property | |
| ΔfG° | -182.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -614.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.29 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.14 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.59 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.151 | Crippen Calculated Property | |
| McVol | 224.000 | ml/mol | McGowan Calculated Property |
| Pc | 1787.88 | kPa | Joback Calculated Property |
| Inp | [2485.00; 2485.00] |
|
|
| Inp | 2485.00 | NIST | |
| Inp | 2485.00 | NIST | |
| Tboil | 608.59 | K | Relay (1.0) Calculated Property |
| Tc | 797.51 | K | Relay (1.0) Calculated Property |
| Tfus | 278.24 | K | Relay (1.0) Calculated Property |
| Vc | 0.832 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [602.38; 679.92] | J/mol×K | [715.38; 916.91] |
|
| Cp,gas | 602.38 | J/mol×K | 715.38 | Joback Calculated Property |
| Cp,gas | 617.50 | J/mol×K | 748.97 | Joback Calculated Property |
| Cp,gas | 631.73 | J/mol×K | 782.56 | Joback Calculated Property |
| Cp,gas | 645.08 | J/mol×K | 816.14 | Joback Calculated Property |
| Cp,gas | 657.56 | J/mol×K | 849.73 | Joback Calculated Property |
| Cp,gas | 669.17 | J/mol×K | 883.32 | Joback Calculated Property |
| Cp,gas | 679.92 | J/mol×K | 916.91 | Joback Calculated Property |
| η | [0.0000960; 0.0007768] | Pa×s | [434.58; 715.38] |
|
| η | 0.0007768 | Pa×s | 434.58 | Joback Calculated Property |
| η | 0.0004628 | Pa×s | 481.38 | Joback Calculated Property |
| η | 0.0003022 | Pa×s | 528.18 | Joback Calculated Property |
| η | 0.0002115 | Pa×s | 574.98 | Joback Calculated Property |
| η | 0.0001562 | Pa×s | 621.78 | Joback Calculated Property |
| η | 0.0001204 | Pa×s | 668.58 | Joback Calculated Property |
| η | 0.0000960 | Pa×s | 715.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(4-Chloro-2-methylphenoxy)butyric acid, butyl ester.
Sources
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