- InChI
- InChI=1S/C16H24O4/c1-4-5-6-7-10-20-14-9-8-13(11-15(14)18-2)12-16(17)19-3/h8-9,11H,4-7,10,12H2,1-3H3
- InChI Key
- OUJRFULDFKOKRZ-UHFFFAOYSA-N
- Formula
- C16H24O4
- SMILES
- CCCCCCOc1ccc(CC(=O)OC)cc1OC
- Molecular Weight1
- 280.36
- 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° | -266.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -669.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.79 | kJ/mol | Joback Calculated Property |
| log10WS | -3.89 | Crippen Calculated Property | |
| logPoct/wat | 3.370 | Crippen Calculated Property | |
| McVol | 231.720 | ml/mol | McGowan Calculated Property |
| Pc | 1678.28 | kPa | Joback Calculated Property |
| Inp | [1988.70; 1988.70] |
|
|
| Inp | 1988.70 | NIST | |
| Inp | 1988.70 | NIST | |
| Tboil | 723.25 | K | Joback Calculated Property |
| Tc | 918.30 | K | Joback Calculated Property |
| Tfus | 438.16 | K | Joback Calculated Property |
| Vc | 0.883 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [656.44; 739.76] | J/mol×K | [723.25; 918.30] |
|
| Cp,gas | 656.44 | J/mol×K | 723.25 | Joback Calculated Property |
| Cp,gas | 672.63 | J/mol×K | 755.76 | Joback Calculated Property |
| Cp,gas | 687.91 | J/mol×K | 788.27 | Joback Calculated Property |
| Cp,gas | 702.27 | J/mol×K | 820.77 | Joback Calculated Property |
| Cp,gas | 715.70 | J/mol×K | 853.28 | Joback Calculated Property |
| Cp,gas | 728.20 | J/mol×K | 885.79 | Joback Calculated Property |
| Cp,gas | 739.76 | J/mol×K | 918.30 | Joback Calculated Property |
| η | [0.0000725; 0.0006064] | Pa×s | [438.16; 723.25] |
|
| η | 0.0006064 | Pa×s | 438.16 | Joback Calculated Property |
| η | 0.0003580 | Pa×s | 485.68 | Joback Calculated Property |
| η | 0.0002322 | Pa×s | 533.19 | Joback Calculated Property |
| η | 0.0001616 | Pa×s | 580.71 | Joback Calculated Property |
| η | 0.0001188 | Pa×s | 628.22 | Joback Calculated Property |
| η | 0.0000913 | Pa×s | 675.74 | Joback Calculated Property |
| η | 0.0000725 | Pa×s | 723.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3-methoxy-4-hexyloxy-phenyl)-acetic acid, methyl ester.
Sources
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