- InChI
- InChI=1S/C16H22O3/c1-18-16(17)11-13-7-9-15(10-8-13)19-12-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3
- InChI Key
- POIWXNWRDGTRTM-UHFFFAOYSA-N
- Formula
- C16H22O3
- SMILES
- COC(=O)Cc1ccc(OCC2CCCCC2)cc1
- Molecular Weight1
- 262.34
- 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° | -127.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -471.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.14 | kJ/mol | Joback Calculated Property |
| log10WS | -3.84 | Crippen Calculated Property | |
| logPoct/wat | 3.361 | Crippen Calculated Property | |
| McVol | 214.990 | ml/mol | McGowan Calculated Property |
| Pc | 2058.62 | kPa | Joback Calculated Property |
| Inp | [2059.10; 2059.10] |
|
|
| Inp | 2059.10 | NIST | |
| Inp | 2059.10 | NIST | |
| Tboil | 715.40 | K | Joback Calculated Property |
| Tc | 939.59 | K | Joback Calculated Property |
| Tfus | 410.79 | K | Joback Calculated Property |
| Vc | 0.798 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [622.21; 716.79] | J/mol×K | [715.40; 939.59] |
|
| Cp,gas | 622.21 | J/mol×K | 715.40 | Joback Calculated Property |
| Cp,gas | 641.33 | J/mol×K | 752.77 | Joback Calculated Property |
| Cp,gas | 659.08 | J/mol×K | 790.13 | Joback Calculated Property |
| Cp,gas | 675.48 | J/mol×K | 827.50 | Joback Calculated Property |
| Cp,gas | 690.55 | J/mol×K | 864.86 | Joback Calculated Property |
| Cp,gas | 704.31 | J/mol×K | 902.23 | Joback Calculated Property |
| Cp,gas | 716.79 | J/mol×K | 939.59 | Joback Calculated Property |
| η | [0.0000990; 0.0012086] | Pa×s | [410.79; 715.40] |
|
| η | 0.0012086 | Pa×s | 410.79 | Joback Calculated Property |
| η | 0.0006332 | Pa×s | 461.56 | Joback Calculated Property |
| η | 0.0003771 | Pa×s | 512.33 | Joback Calculated Property |
| η | 0.0002466 | Pa×s | 563.10 | Joback Calculated Property |
| η | 0.0001730 | Pa×s | 613.86 | Joback Calculated Property |
| η | 0.0001281 | Pa×s | 664.63 | Joback Calculated Property |
| η | 0.0000990 | Pa×s | 715.40 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (4-cyclohexylmethoxy-phenyl)-acetic acid, methyl ester.
Sources
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