- InChI
- InChI=1S/C17H23ClO3/c1-20-17(19)12-14-7-8-16(15(18)11-14)21-10-9-13-5-3-2-4-6-13/h7-8,11,13H,2-6,9-10,12H2,1H3
- InChI Key
- JTCMYGCPMOWARO-UHFFFAOYSA-N
- Formula
- C17H23ClO3
- SMILES
-
COC(=O)Cc1ccc(OCCC2CCCCC2)c(Cl
)c1 - Molecular Weight1
- 310.82
- 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° | -140.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -519.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.42 | kJ/mol | Joback Calculated Property |
| log10WS | -4.94 | Crippen Calculated Property | |
| logPoct/wat | 4.405 | Crippen Calculated Property | |
| McVol | 241.320 | ml/mol | McGowan Calculated Property |
| Pc | 1807.70 | kPa | Joback Calculated Property |
| Inp | [2333.90; 2333.90] |
|
|
| Inp | 2333.90 | NIST | |
| Inp | 2333.90 | NIST | |
| Tboil | 780.69 | K | Joback Calculated Property |
| Tc | 1004.95 | K | Joback Calculated Property |
| Tfus | 464.50 | K | Joback Calculated Property |
| Vc | 0.903 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [707.39; 792.50] | J/mol×K | [780.69; 1004.95] |
|
| Cp,gas | 707.39 | J/mol×K | 780.69 | Joback Calculated Property |
| Cp,gas | 724.96 | J/mol×K | 818.07 | Joback Calculated Property |
| Cp,gas | 741.15 | J/mol×K | 855.44 | Joback Calculated Property |
| Cp,gas | 755.98 | J/mol×K | 892.82 | Joback Calculated Property |
| Cp,gas | 769.47 | J/mol×K | 930.20 | Joback Calculated Property |
| Cp,gas | 781.63 | J/mol×K | 967.57 | Joback Calculated Property |
| Cp,gas | 792.50 | J/mol×K | 1004.95 | Joback Calculated Property |
| η | [0.0000781; 0.0007724] | Pa×s | [464.50; 780.69] |
|
| η | 0.0007724 | Pa×s | 464.50 | Joback Calculated Property |
| η | 0.0004340 | Pa×s | 517.20 | Joback Calculated Property |
| η | 0.0002713 | Pa×s | 569.90 | Joback Calculated Property |
| η | 0.0001836 | Pa×s | 622.60 | Joback Calculated Property |
| η | 0.0001321 | Pa×s | 675.29 | Joback Calculated Property |
| η | 0.0000997 | Pa×s | 727.99 | Joback Calculated Property |
| η | 0.0000781 | Pa×s | 780.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3-Chloro-4-cyclohexylethoxy-phenyl)-acetic acid, methyl ester.
Sources
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