- 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
- 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).
- 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° | -243.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -401.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.07 | kJ/mol | Thermod... |
| ΔsubH° | 123.30 ± 0.90 | kJ/mol | NIST |
| ΔvapH° | 64.40 | kJ/mol | Joback Calculated Property |
| log10WS | -2.07 | Crippen Calculated Property | |
| logPoct/wat | 1.783 | Crippen Calculated Property | |
| McVol | 127.220 | ml/mol | McGowan Calculated Property |
| Pc | 3773.04 | kPa | Joback Calculated Property |
| Tboil | 605.45 | K | Joback Calculated Property |
| Tc | 807.67 | K | Joback Calculated Property |
| Tfus | 472.80 ± 0.50 | K | NIST |
| Vc | 0.474 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [303.01; 355.59] | J/mol×K | [605.45; 807.67] | 
|
| Cp,gas | 303.01 | J/mol×K | 605.45 | Joback Calculated Property |
| Cp,gas | 313.16 | J/mol×K | 639.15 | Joback Calculated Property |
| Cp,gas | 322.74 | J/mol×K | 672.86 | Joback Calculated Property |
| Cp,gas | 331.76 | J/mol×K | 706.56 | Joback Calculated Property |
| Cp,gas | 340.24 | J/mol×K | 740.27 | Joback Calculated Property |
| Cp,gas | 348.17 | J/mol×K | 773.97 | Joback Calculated Property |
| Cp,gas | 355.59 | J/mol×K | 807.67 | Joback Calculated Property |
| η | [0.0000785; 0.0027550] | Pa×s | [363.11; 605.45] |
|
| η | 0.0027550 | Pa×s | 363.11 | Joback Calculated Property |
| η | 0.0011315 | Pa×s | 403.50 | Joback Calculated Property |
| η | 0.0005464 | Pa×s | 443.89 | Joback Calculated Property |
| η | 0.0002980 | Pa×s | 484.28 | Joback Calculated Property |
| η | 0.0001784 | Pa×s | 524.67 | Joback Calculated Property |
| η | 0.0001149 | Pa×s | 565.06 | Joback Calculated Property |
| η | 0.0000785 | Pa×s | 605.45 | 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
- 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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