- InChI
- InChI=1S/C22H35ClO3/c1-3-4-5-6-7-8-9-10-11-16-26-22(24)13-12-17-25-21-15-14-20(23)18-19(21)2/h14-15,18H,3-13,16-17H2,1-2H3
- InChI Key
- ZKACEPCRHZMOBP-UHFFFAOYSA-N
- Formula
- C22H35ClO3
- SMILES
-
CCCCCCCCCCCOC(=O)CCCOc1ccc(Cl)
cc1C - Molecular Weight1
- 382.96
- 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° | -123.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -676.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 54.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.12 | kJ/mol | Joback Calculated Property |
| log10WS | -7.47 | Crippen Calculated Property | |
| logPoct/wat | 6.881 | Crippen Calculated Property | |
| McVol | 322.630 | ml/mol | McGowan Calculated Property |
| Pc | 1084.20 | kPa | Joback Calculated Property |
| Inp | [3320.00; 3320.00] |
|
|
| Inp | 3320.00 | NIST | |
| Inp | 3320.00 | NIST | |
| Tboil | 875.54 | K | Joback Calculated Property |
| Tc | 1076.49 | K | Joback Calculated Property |
| Tfus | 513.47 | K | Joback Calculated Property |
| Vc | 1.250 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1006.43; 1091.64] | J/mol×K | [875.54; 1076.49] |
|
| Cp,gas | 1006.43 | J/mol×K | 875.54 | Joback Calculated Property |
| Cp,gas | 1023.52 | J/mol×K | 909.03 | Joback Calculated Property |
| Cp,gas | 1039.43 | J/mol×K | 942.52 | Joback Calculated Property |
| Cp,gas | 1054.16 | J/mol×K | 976.02 | Joback Calculated Property |
| Cp,gas | 1067.76 | J/mol×K | 1009.51 | Joback Calculated Property |
| Cp,gas | 1080.24 | J/mol×K | 1043.00 | Joback Calculated Property |
| Cp,gas | 1091.64 | J/mol×K | 1076.49 | Joback Calculated Property |
| η | [0.0000376; 0.0004130] | Pa×s | [513.47; 875.54] |
|
| η | 0.0004130 | Pa×s | 513.47 | Joback Calculated Property |
| η | 0.0002246 | Pa×s | 573.82 | Joback Calculated Property |
| η | 0.0001371 | Pa×s | 634.16 | Joback Calculated Property |
| η | 0.0000912 | Pa×s | 694.50 | Joback Calculated Property |
| η | 0.0000648 | Pa×s | 754.85 | Joback Calculated Property |
| η | 0.0000484 | Pa×s | 815.19 | Joback Calculated Property |
| η | 0.0000376 | Pa×s | 875.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(4-Chloro-2-methylphenoxy)butyric acid, undecyl ester.
Sources
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