- InChI
- InChI=1S/C15H22O3/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3,(H,16,17)
- InChI Key
- IALWCYFULVHLEC-UHFFFAOYSA-N
- Formula
- C15H22O3
- SMILES
- CCCCCCCCOc1ccc(C(=O)O)cc1
- Molecular Weight1
- 250.33
- CAS
- 2493-84-7
- Other Names
-
- 4-n-Octyloxybenzoic acid
- Benzoic acid, 4-(octyloxy)-
- Benzoic acid, p-(octyloxy)-
- p-Octoxybenzoic acid
- p-Octyloxybenzoic acid
- p-n-Octyloxybenzoic 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).
- ΔsubH° : Enthalpy of sublimation 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° | -192.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -524.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 0.79 | kJ/mol | Thermod... |
| ΔsubH° | 163.00 ± 1.20 | kJ/mol | NIST |
| ΔvapH° | 77.76 | kJ/mol | Joback Calculated Property |
| log10WS | -4.58 | Crippen Calculated Property | |
| logPoct/wat | 4.124 | Crippen Calculated Property | |
| McVol | 211.760 | ml/mol | McGowan Calculated Property |
| Pc | 2058.62 | kPa | Joback Calculated Property |
| Tboil | 742.73 | K | Joback Calculated Property |
| Tc | 933.61 | K | Joback Calculated Property |
| Tfus | 430.73 | K | Joback Calculated Property |
| Vc | 0.810 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [607.93; 679.09] | J/mol×K | [742.73; 933.61] | 
|
| Cp,gas | 607.93 | J/mol×K | 742.73 | Joback Calculated Property |
| Cp,gas | 621.70 | J/mol×K | 774.54 | Joback Calculated Property |
| Cp,gas | 634.68 | J/mol×K | 806.36 | Joback Calculated Property |
| Cp,gas | 646.89 | J/mol×K | 838.17 | Joback Calculated Property |
| Cp,gas | 658.34 | J/mol×K | 869.98 | Joback Calculated Property |
| Cp,gas | 669.07 | J/mol×K | 901.79 | Joback Calculated Property |
| Cp,gas | 679.09 | J/mol×K | 933.61 | Joback Calculated Property |
| η | [0.0000286; 0.0011563] | Pa×s | [430.73; 742.73] |
|
| η | 0.0011563 | Pa×s | 430.73 | Joback Calculated Property |
| η | 0.0004478 | Pa×s | 482.73 | Joback Calculated Property |
| η | 0.0002086 | Pa×s | 534.73 | Joback Calculated Property |
| η | 0.0001112 | Pa×s | 586.73 | Joback Calculated Property |
| η | 0.0000657 | Pa×s | 638.73 | Joback Calculated Property |
| η | 0.0000420 | Pa×s | 690.73 | Joback Calculated Property |
| η | 0.0000286 | Pa×s | 742.73 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Octyloxybenzoic acid.
Sources
- Crippen Method
- Crippen Method
- Experimental standard molar enthalpies of formation of some 4-alkoxybenzoic acids
- Thermodynamic Study of 4-n-Alkyloxybenzoic Acids
- Joback Method
- McGowan Method
- NIST Webbook
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