- InChI
- InChI=1S/C19H29ClO3/c1-3-4-5-6-7-8-13-23-19(21)10-9-14-22-18-12-11-17(20)15-16(18)2/h11-12,15H,3-10,13-14H2,1-2H3
- InChI Key
- WROBQVBWQOGTTQ-UHFFFAOYSA-N
- Formula
- C19H29ClO3
- SMILES
-
CCCCCCCCOC(=O)CCCOc1ccc(Cl)cc1
C - Molecular Weight1
- 340.88
- 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° | -148.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -614.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.44 | kJ/mol | Joback Calculated Property |
| log10WS | -6.22 | Crippen Calculated Property | |
| logPoct/wat | 5.711 | Crippen Calculated Property | |
| McVol | 280.360 | ml/mol | McGowan Calculated Property |
| Pc | 1323.28 | kPa | Joback Calculated Property |
| Inp | [3000.00; 3000.00] |
|
|
| Inp | 3000.00 | NIST | |
| Inp | 3000.00 | NIST | |
| Tboil | 806.90 | K | Joback Calculated Property |
| Tc | 1004.33 | K | Joback Calculated Property |
| Tfus | 479.66 | K | Joback Calculated Property |
| Vc | 1.083 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [827.81; 910.67] | J/mol×K | [806.90; 1004.33] |
|
| Cp,gas | 827.81 | J/mol×K | 806.90 | Joback Calculated Property |
| Cp,gas | 844.18 | J/mol×K | 839.81 | Joback Calculated Property |
| Cp,gas | 859.50 | J/mol×K | 872.71 | Joback Calculated Property |
| Cp,gas | 873.79 | J/mol×K | 905.62 | Joback Calculated Property |
| Cp,gas | 887.07 | J/mol×K | 938.52 | Joback Calculated Property |
| Cp,gas | 899.36 | J/mol×K | 971.43 | Joback Calculated Property |
| Cp,gas | 910.67 | J/mol×K | 1004.33 | Joback Calculated Property |
| η | [0.0000572; 0.0005575] | Pa×s | [479.66; 806.90] |
|
| η | 0.0005575 | Pa×s | 479.66 | Joback Calculated Property |
| η | 0.0003144 | Pa×s | 534.20 | Joback Calculated Property |
| η | 0.0001971 | Pa×s | 588.74 | Joback Calculated Property |
| η | 0.0001338 | Pa×s | 643.28 | Joback Calculated Property |
| η | 0.0000964 | Pa×s | 697.82 | Joback Calculated Property |
| η | 0.0000729 | Pa×s | 752.36 | Joback Calculated Property |
| η | 0.0000572 | Pa×s | 806.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(4-Chloro-2-methylphenoxy)butyric acid, octyl ester.
Sources
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