- InChI
- InChI=1S/C12H16O3/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8H,2-4,9H2,1H3,(H,13,14)
- InChI Key
- OZPPUPJQRJYTNY-UHFFFAOYSA-N
- Formula
- C12H16O3
- SMILES
- CCCCCOc1ccc(C(=O)O)cc1
- Molecular Weight1
- 208.25
- CAS
- 15872-41-0
- Other Names
-
- 4-n-Amyloxybenzoic acid
- 4-n-pentyloxybenzoic acid
- Benzoic acid, 4-(pentyloxy)-
- Benzoic acid, p-(pentyloxy)-
- p-Pentoxybenzoic acid
- p-Pentyloxybenzoic acid
- p-n-Amyloxybenzoic acid
- p-n-Pentyloxybenzoic 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° | -217.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -462.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 2.16 | kJ/mol | Thermod... |
| ΔvapH° | 71.08 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 2.954 | Crippen Calculated Property | |
| McVol | 169.490 | ml/mol | McGowan Calculated Property |
| Pc | 2724.01 | kPa | Joback Calculated Property |
| Tboil | 674.09 | K | Joback Calculated Property |
| Tc | 868.90 | K | Joback Calculated Property |
| Tfus | 398.00 ± 1.00 | K | NIST |
| Vc | 0.642 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [449.24; 512.85] | J/mol×K | [674.09; 868.90] | 
|
| Cp,gas | 449.24 | J/mol×K | 674.09 | Joback Calculated Property |
| Cp,gas | 461.52 | J/mol×K | 706.56 | Joback Calculated Property |
| Cp,gas | 473.10 | J/mol×K | 739.03 | Joback Calculated Property |
| Cp,gas | 484.01 | J/mol×K | 771.49 | Joback Calculated Property |
| Cp,gas | 494.26 | J/mol×K | 803.96 | Joback Calculated Property |
| Cp,gas | 503.87 | J/mol×K | 836.43 | Joback Calculated Property |
| Cp,gas | 512.85 | J/mol×K | 868.90 | Joback Calculated Property |
| η | [0.0000478; 0.0018159] | Pa×s | [396.92; 674.09] |
|
| η | 0.0018159 | Pa×s | 396.92 | Joback Calculated Property |
| η | 0.0007222 | Pa×s | 443.12 | Joback Calculated Property |
| η | 0.0003419 | Pa×s | 489.31 | Joback Calculated Property |
| η | 0.0001841 | Pa×s | 535.50 | Joback Calculated Property |
| η | 0.0001094 | Pa×s | 581.70 | Joback Calculated Property |
| η | 0.0000702 | Pa×s | 627.89 | Joback Calculated Property |
| η | 0.0000478 | Pa×s | 674.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Pentyloxybenzoic acid.
Sources
- Crippen Method
- Crippen Method
- Thermodynamic Study of 4-n-Alkyloxybenzoic Acids
- Joback Method
- McGowan Method
- NIST Webbook
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