- InChI
- InChI=1S/C9H10O3/c1-2-12-8-5-3-7(4-6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
- InChI Key
- SHSGDXCJYVZFTP-UHFFFAOYSA-N
- Formula
- C9H10O3
- SMILES
- CCOc1ccc(C(=O)O)cc1
- Molecular Weight1
- 166.17
- CAS
- 619-86-3
- Other Names
-
- 4-ethoxybenzoic acid
- Benzoic acid, p-ethoxy-
- p-ethoxybenzoic acid
- para-Ethoxybenzoic 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).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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 | 0.7383 | Relay (1.0) Calculated Property | |
| ΔfG° | -321.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -490.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 35.07 | kJ/mol | Thermodynamic Study of 4-n-Alkyloxybenzoic Acids |
| ΔsubH° | 123.30 ± 0.90 | kJ/mol | NIST |
| ΔvapH° | 93.55 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.783 | Crippen Calculated Property | |
| McVol | 127.220 | ml/mol | McGowan Calculated Property |
| Pc | 3484.76 | kPa | Joback Calculated Property |
| Tboil | 565.46 | K | Relay (1.0) Calculated Property |
| Tc | 768.03 | K | Relay (1.0) Calculated Property |
| Tfus | [471.15; 472.80] | K |
|
| Tfus | 471.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 472.80 ± 0.50 | K | NIST |
| Vc | 0.467 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | [29.40; 29.40] | kJ/mol | [472.80; 472.80] |
|
| ΔfusH | 29.40 | kJ/mol | 472.80 | NIST |
| ΔfusH | 29.40 | kJ/mol | 472.80 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [170.73; 391.36] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 5.20100e+00 | |||
| Coefficient B | 7.08020e-01 | |||
| Coefficient C | -3.91560e-04 | |||
| Coefficient D | 6.97000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 170.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 209.76 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 244.65 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 275.62 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 302.88 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 326.66 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 347.18 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 364.66 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 379.31 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 391.36 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0004753; 0.0002144] | Pa×s | [471.98; 579.11] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.19550e+01 | |||
| Coefficient B | 2.03107e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 471.98 | |||
| Temperature range, max. | 579.11 | |||
| η | 0.0004753 | Pa×s | 471.98 | Calculated Property |
| η | 0.0004275 | Pa×s | 483.88 | Calculated Property |
| η | 0.0003865 | Pa×s | 495.78 | Calculated Property |
| η | 0.0003511 | Pa×s | 507.69 | Calculated Property |
| η | 0.0003204 | Pa×s | 519.59 | Calculated Property |
| η | 0.0002935 | Pa×s | 531.50 | Calculated Property |
| η | 0.0002700 | Pa×s | 543.40 | Calculated Property |
| η | 0.0002492 | Pa×s | 555.30 | Calculated Property |
| η | 0.0002308 | Pa×s | 567.21 | Calculated Property |
| η | 0.0002144 | Pa×s | 579.11 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-ethoxy-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- 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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