- InChI
- InChI=1S/C13H18O3/c1-2-3-4-5-10-16-12-8-6-11(7-9-12)13(14)15/h6-9H,2-5,10H2,1H3,(H,14,15)
- InChI Key
- HBQUXMZZODHFMJ-UHFFFAOYSA-N
- Formula
- C13H18O3
- SMILES
- CCCCCCOc1ccc(C(=O)O)cc1
- Molecular Weight1
- 222.28
- CAS
- 1142-39-8
- Other Names
-
- 4-n-Hexyloxybenzoic acid
- Benzoic acid, 4-(hexyloxy)-
- Benzoic acid, p-(hexyloxy)-
- p-Hexoylbenzoic acid
- p-Hexyloxybenzoic acid
- p-n-Hexyloxybenzoic acid
- 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).
- 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° | -209.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -483.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 3.16 | kJ/mol | Thermod... |
| ΔvapH° | 73.31 | kJ/mol | Joback Calculated Property |
| log10WS | -3.74 | Crippen Calculated Property | |
| logPoct/wat | 3.344 | Crippen Calculated Property | |
| McVol | 183.580 | ml/mol | McGowan Calculated Property |
| Pc | 2470.27 | kPa | Joback Calculated Property |
| Tboil | 696.97 | K | Joback Calculated Property |
| Tc | 890.02 | K | Joback Calculated Property |
| Tfus | 408.19 | K | Joback Calculated Property |
| Vc | 0.699 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [500.87; 567.30] | J/mol×K | [696.97; 890.02] | 
|
| Cp,gas | 500.87 | J/mol×K | 696.97 | Joback Calculated Property |
| Cp,gas | 513.70 | J/mol×K | 729.14 | Joback Calculated Property |
| Cp,gas | 525.80 | J/mol×K | 761.32 | Joback Calculated Property |
| Cp,gas | 537.20 | J/mol×K | 793.49 | Joback Calculated Property |
| Cp,gas | 547.90 | J/mol×K | 825.67 | Joback Calculated Property |
| Cp,gas | 557.93 | J/mol×K | 857.84 | Joback Calculated Property |
| Cp,gas | 567.30 | J/mol×K | 890.02 | Joback Calculated Property |
| η | [0.0000404; 0.0015672] | Pa×s | [408.19; 696.97] |
|
| η | 0.0015672 | Pa×s | 408.19 | Joback Calculated Property |
| η | 0.0006175 | Pa×s | 456.32 | Joback Calculated Property |
| η | 0.0002906 | Pa×s | 504.45 | Joback Calculated Property |
| η | 0.0001560 | Pa×s | 552.58 | Joback Calculated Property |
| η | 0.0000925 | Pa×s | 600.71 | Joback Calculated Property |
| η | 0.0000593 | Pa×s | 648.84 | Joback Calculated Property |
| η | 0.0000404 | Pa×s | 696.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(Hexyloxy)benzoic acid.
Sources
- Crippen Method
- Crippen Method
- Thermodynamic Study of 4-n-Alkyloxybenzoic Acids
- Joback Method
- McGowan Method
- NIST Webbook
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