- InChI
- InChI=1S/C16H21ClO3/c1-19-16(18)10-13-7-8-15(14(17)9-13)20-11-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11H2,1H3
- InChI Key
- KXICENYJWTTXKL-UHFFFAOYSA-N
- Formula
- C16H21ClO3
- SMILES
-
COC(=O)Cc1ccc(OCC2CCCCC2)c(Cl)
c1 - Molecular Weight1
- 296.79
- 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° | -149.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -498.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.19 | kJ/mol | Joback Calculated Property |
| log10WS | -4.52 | Crippen Calculated Property | |
| logPoct/wat | 4.015 | Crippen Calculated Property | |
| McVol | 227.230 | ml/mol | McGowan Calculated Property |
| Pc | 1964.82 | kPa | Joback Calculated Property |
| Inp | 2224.70 | NIST | |
| Tboil | 757.81 | K | Joback Calculated Property |
| Tc | 985.53 | K | Joback Calculated Property |
| Tfus | 453.23 | K | Joback Calculated Property |
| Vc | 0.848 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [650.92; 735.74] | J/mol×K | [757.81; 985.53] | 
|
| Cp,gas | 650.92 | J/mol×K | 757.81 | Joback Calculated Property |
| Cp,gas | 668.41 | J/mol×K | 795.76 | Joback Calculated Property |
| Cp,gas | 684.53 | J/mol×K | 833.72 | Joback Calculated Property |
| Cp,gas | 699.31 | J/mol×K | 871.67 | Joback Calculated Property |
| Cp,gas | 712.76 | J/mol×K | 909.63 | Joback Calculated Property |
| Cp,gas | 724.90 | J/mol×K | 947.58 | Joback Calculated Property |
| Cp,gas | 735.74 | J/mol×K | 985.53 | Joback Calculated Property |
| η | [0.0000890; 0.0008415] | Pa×s | [453.23; 757.81] |
|
| η | 0.0008415 | Pa×s | 453.23 | Joback Calculated Property |
| η | 0.0004792 | Pa×s | 503.99 | Joback Calculated Property |
| η | 0.0003025 | Pa×s | 554.76 | Joback Calculated Property |
| η | 0.0002063 | Pa×s | 605.52 | Joback Calculated Property |
| η | 0.0001492 | Pa×s | 656.28 | Joback Calculated Property |
| η | 0.0001131 | Pa×s | 707.05 | Joback Calculated Property |
| η | 0.0000890 | Pa×s | 757.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3-Chloro-4-cyclohexylmethoxy-phenyl)-acetic acid, methyl ester.
Sources
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