- InChI
- InChI=1S/C14H19ClO3/c1-3-8-18-14(16)5-4-9-17-13-7-6-12(15)10-11(13)2/h6-7,10H,3-5,8-9H2,1-2H3
- InChI Key
- PXDSUQMRJGJUHZ-UHFFFAOYSA-N
- Formula
- C14H19ClO3
- SMILES
- CCCOC(=O)CCCOc1ccc(Cl)cc1C
- Molecular Weight1
- 270.75
- 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 | 0.7351 | Relay (1.0) Calculated Property | |
| ΔfG° | -190.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -592.70 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.20 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.761 | Crippen Calculated Property | |
| McVol | 209.910 | ml/mol | McGowan Calculated Property |
| Pc | 1942.37 | kPa | Joback Calculated Property |
| Inp | [2280.00; 2280.00] |
|
|
| Inp | 2280.00 | NIST | |
| Inp | 2280.00 | NIST | |
| Tboil | 600.31 | K | Relay (1.0) Calculated Property |
| Tc | 786.61 | K | Relay (1.0) Calculated Property |
| Tfus | 286.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.779 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [548.82; 624.32] | J/mol×K | [692.50; 896.30] |
|
| Cp,gas | 548.82 | J/mol×K | 692.50 | Joback Calculated Property |
| Cp,gas | 563.51 | J/mol×K | 726.47 | Joback Calculated Property |
| Cp,gas | 577.35 | J/mol×K | 760.43 | Joback Calculated Property |
| Cp,gas | 590.35 | J/mol×K | 794.40 | Joback Calculated Property |
| Cp,gas | 602.50 | J/mol×K | 828.37 | Joback Calculated Property |
| Cp,gas | 613.83 | J/mol×K | 862.33 | Joback Calculated Property |
| Cp,gas | 624.32 | J/mol×K | 896.30 | Joback Calculated Property |
| η | [0.0001081; 0.0008314] | Pa×s | [423.31; 692.50] |
|
| η | 0.0008314 | Pa×s | 423.31 | Joback Calculated Property |
| η | 0.0005028 | Pa×s | 468.18 | Joback Calculated Property |
| η | 0.0003321 | Pa×s | 513.04 | Joback Calculated Property |
| η | 0.0002344 | Pa×s | 557.90 | Joback Calculated Property |
| η | 0.0001743 | Pa×s | 602.77 | Joback Calculated Property |
| η | 0.0001350 | Pa×s | 647.63 | Joback Calculated Property |
| η | 0.0001081 | Pa×s | 692.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(4-Chloro-2-methylphenoxy)butyric acid, propyl ester.
Sources
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