- 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 | 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 |
|---|---|---|---|---|
| Cp,gas | [305.70; 362.42] | J/mol×K | [605.11; 827.30] | 
|
| Cp,gas | 305.70 | J/mol×K | 605.11 | Joback Calculated Property |
| Cp,gas | 316.85 | J/mol×K | 642.14 | Joback Calculated Property |
| Cp,gas | 327.29 | J/mol×K | 679.17 | Joback Calculated Property |
| Cp,gas | 337.04 | J/mol×K | 716.21 | Joback Calculated Property |
| Cp,gas | 346.14 | J/mol×K | 753.24 | Joback Calculated Property |
| Cp,gas | 354.59 | J/mol×K | 790.27 | Joback Calculated Property |
| Cp,gas | 362.42 | J/mol×K | 827.30 | Joback Calculated Property |
| η | [0.0001844; 0.0008791] | Pa×s | [412.96; 605.11] |
|
| η | 0.0008791 | Pa×s | 412.96 | Joback Calculated Property |
| η | 0.0006170 | Pa×s | 444.99 | Joback Calculated Property |
| η | 0.0004542 | Pa×s | 477.01 | Joback Calculated Property |
| η | 0.0003474 | Pa×s | 509.03 | Joback Calculated Property |
| η | 0.0002744 | Pa×s | 541.06 | Joback Calculated Property |
| η | 0.0002224 | Pa×s | 573.08 | Joback Calculated Property |
| η | 0.0001844 | Pa×s | 605.11 | Joback Calculated Property |
| 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 |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-ethoxy-.
Sources
- 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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