- InChI
- InChI=1S/C15H21ClO3/c1-11(2)10-19-15(17)5-4-8-18-14-7-6-13(16)9-12(14)3/h6-7,9,11H,4-5,8,10H2,1-3H3
- InChI Key
- YWYRKYNYHRGXSR-UHFFFAOYSA-N
- Formula
- C15H21ClO3
- SMILES
- Cc1cc(Cl)ccc1OCCCC(=O)OCC(C)C
- 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 | 0.7432 | Relay (1.0) Calculated Property | |
| ΔfG° | -184.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -625.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.52 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.24 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.007 | Crippen Calculated Property | |
| McVol | 224.000 | ml/mol | McGowan Calculated Property |
| Pc | 1800.03 | kPa | Joback Calculated Property |
| Inp | [2379.00; 2379.00] |
|
|
| Inp | 2379.00 | NIST | |
| Inp | 2379.00 | NIST | |
| Tboil | 607.86 | K | Relay (1.0) Calculated Property |
| Tc | 795.14 | K | Relay (1.0) Calculated Property |
| Tfus | 297.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.827 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [602.91; 681.44] | J/mol×K | [714.94; 919.70] |
|
| Cp,gas | 602.91 | J/mol×K | 714.94 | Joback Calculated Property |
| Cp,gas | 618.29 | J/mol×K | 749.07 | Joback Calculated Property |
| Cp,gas | 632.75 | J/mol×K | 783.19 | Joback Calculated Property |
| Cp,gas | 646.28 | J/mol×K | 817.32 | Joback Calculated Property |
| Cp,gas | 658.90 | J/mol×K | 851.45 | Joback Calculated Property |
| Cp,gas | 670.62 | J/mol×K | 885.57 | Joback Calculated Property |
| Cp,gas | 681.44 | J/mol×K | 919.70 | Joback Calculated Property |
| η | [0.0000887; 0.0008995] | Pa×s | [419.58; 714.94] |
|
| η | 0.0008995 | Pa×s | 419.58 | Joback Calculated Property |
| η | 0.0004991 | Pa×s | 468.81 | Joback Calculated Property |
| η | 0.0003098 | Pa×s | 518.03 | Joback Calculated Property |
| η | 0.0002089 | Pa×s | 567.26 | Joback Calculated Property |
| η | 0.0001500 | Pa×s | 616.49 | Joback Calculated Property |
| η | 0.0001131 | Pa×s | 665.71 | Joback Calculated Property |
| η | 0.0000887 | Pa×s | 714.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(4-Chloro-2-methylphenoxy)butyric acid, isobutyl ester.
Sources
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