- InChI
- InChI=1S/C17H25ClO3/c1-13(2)6-4-11-21-17(19)7-5-10-20-16-9-8-15(18)12-14(16)3/h8-9,12-13H,4-7,10-11H2,1-3H3
- InChI Key
- ASXVPVAGPZBYHS-UHFFFAOYSA-N
- Formula
- C17H25ClO3
- SMILES
-
Cc1cc(Cl)ccc1OCCCC(=O)OCCCC(C)
C - Molecular Weight1
- 312.83
- 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° | -167.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -578.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.60 | kJ/mol | Joback Calculated Property |
| log10WS | -5.14 | Crippen Calculated Property | |
| logPoct/wat | 4.787 | Crippen Calculated Property | |
| McVol | 252.180 | ml/mol | McGowan Calculated Property |
| Pc | 1539.08 | kPa | Joback Calculated Property |
| Inp | [2695.00; 2695.00] |
|
|
| Inp | 2695.00 | NIST | |
| Inp | 2695.00 | NIST | |
| Tboil | 760.70 | K | Joback Calculated Property |
| Tc | 961.76 | K | Joback Calculated Property |
| Tfus | 442.12 | K | Joback Calculated Property |
| Vc | 0.965 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [713.55; 795.01] | J/mol×K | [760.70; 961.76] |
|
| Cp,gas | 713.55 | J/mol×K | 760.70 | Joback Calculated Property |
| Cp,gas | 729.59 | J/mol×K | 794.21 | Joback Calculated Property |
| Cp,gas | 744.63 | J/mol×K | 827.72 | Joback Calculated Property |
| Cp,gas | 758.67 | J/mol×K | 861.23 | Joback Calculated Property |
| Cp,gas | 771.74 | J/mol×K | 894.74 | Joback Calculated Property |
| Cp,gas | 783.85 | J/mol×K | 928.25 | Joback Calculated Property |
| Cp,gas | 795.01 | J/mol×K | 961.76 | Joback Calculated Property |
| η | [0.0000687; 0.0007634] | Pa×s | [442.12; 760.70] |
|
| η | 0.0007634 | Pa×s | 442.12 | Joback Calculated Property |
| η | 0.0004122 | Pa×s | 495.22 | Joback Calculated Property |
| η | 0.0002507 | Pa×s | 548.31 | Joback Calculated Property |
| η | 0.0001665 | Pa×s | 601.41 | Joback Calculated Property |
| η | 0.0001182 | Pa×s | 654.51 | Joback Calculated Property |
| η | 0.0000883 | Pa×s | 707.60 | Joback Calculated Property |
| η | 0.0000687 | Pa×s | 760.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(4-Chloro-2-methylphenoxy)butyric acid, isohexyl ester.
Sources
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