- InChI
- InChI=1S/C14H20O3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3,(H,15,16)
- InChI Key
- ZRVIYEJYXIDATJ-UHFFFAOYSA-N
- Formula
- C14H20O3
- SMILES
- CCCCCCCOc1ccc(C(=O)O)cc1
- Molecular Weight1
- 236.31
- CAS
- 15872-42-1
- Other Names
-
- 4-n-heptyloxybenzoic acid
- Benzoic acid, 4-(heptyloxy)-
- Benzoic acid, p-(heptyloxy)-
- benzoic acid, 4-heptyloxy-
- p-Heptoxybenzoic acid
- p-Heptyloxybenzoic acid
- p-n-Heptyloxybenzoic acid
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9401 | Relay (1.0) Calculated Property | |
| ΔfG° | -200.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -579.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 2.11 | kJ/mol | Thermodynamic Study of 4-n-Alkyloxybenzoic Acids |
| ΔvapH° | 108.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.46 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.734 | Crippen Calculated Property | |
| McVol | 197.670 | ml/mol | McGowan Calculated Property |
| Pc | 2250.40 | kPa | Joback Calculated Property |
| Tboil | 607.02 | K | Relay (1.0) Calculated Property |
| Tc | 822.26 | K | Relay (1.0) Calculated Property |
| Tfus | 367.00 ± 1.00 | K | NIST |
| Vc | 0.730 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [553.80; 622.72] | J/mol×K | [719.85; 911.57] | 
|
| Cp,gas | 553.80 | J/mol×K | 719.85 | Joback Calculated Property |
| Cp,gas | 567.12 | J/mol×K | 751.80 | Joback Calculated Property |
| Cp,gas | 579.68 | J/mol×K | 783.76 | Joback Calculated Property |
| Cp,gas | 591.50 | J/mol×K | 815.71 | Joback Calculated Property |
| Cp,gas | 602.60 | J/mol×K | 847.66 | Joback Calculated Property |
| Cp,gas | 613.00 | J/mol×K | 879.62 | Joback Calculated Property |
| Cp,gas | 622.72 | J/mol×K | 911.57 | Joback Calculated Property |
| η | [0.0000340; 0.0013481] | Pa×s | [419.46; 719.85] |
|
| η | 0.0013481 | Pa×s | 419.46 | Joback Calculated Property |
| η | 0.0005265 | Pa×s | 469.52 | Joback Calculated Property |
| η | 0.0002465 | Pa×s | 519.59 | Joback Calculated Property |
| η | 0.0001318 | Pa×s | 569.65 | Joback Calculated Property |
| η | 0.0000780 | Pa×s | 619.72 | Joback Calculated Property |
| η | 0.0000499 | Pa×s | 669.78 | Joback Calculated Property |
| η | 0.0000340 | Pa×s | 719.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Heptyloxybenzoic acid.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermodynamic Study of 4-n-Alkyloxybenzoic Acids
- Joback Method
- McGowan Method
- NIST Webbook
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