- InChI
- InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
- InChI Key
- ZQVKTHRQIXSMGY-UHFFFAOYSA-N
- Formula
- C9H10O2
- SMILES
- CCc1ccc(C(=O)O)cc1
- Molecular Weight1
- 150.17
- CAS
- 619-64-7
- Other Names
-
- Benzoic acid, 4-ethyl-
- p-Ethylbenzoic 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).
- ΔfH°solid : Solid phase 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).
- ΔsubH : Enthalpy of sublimation at a given temperature (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).
- Pvap : Vapor 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° | -138.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -355.60 ± 1.90 | kJ/mol | NIST |
| ΔfH°solid | -454.50 ± 1.90 | kJ/mol | NIST |
| ΔfusH° | 12.79 | kJ/mol | Thermod... |
| ΔsubH° | [97.50; 101.20] | kJ/mol |
|
| ΔsubH° | 101.20 ± 0.80 | kJ/mol | NIST |
| ΔsubH° | 98.90 ± 0.20 | kJ/mol | NIST |
| ΔsubH° | 98.90 | kJ/mol | NIST |
| ΔsubH° | 98.90 ± 0.20 | kJ/mol | NIST |
| ΔsubH° | 97.50 ± 2.50 | kJ/mol | NIST |
| ΔvapH° | 61.99 | kJ/mol | Joback Calculated Property |
| log10WS | -2.33 | Crippen Calculated Property | |
| logPoct/wat | 1.947 | Crippen Calculated Property | |
| McVol | 121.350 | ml/mol | McGowan Calculated Property |
| Pc | 3853.09 | kPa | Joback Calculated Property |
| Tboil | 583.03 | K | Joback Calculated Property |
| Tc | 787.21 | K | Joback Calculated Property |
| Tfus | 384.70 ± 0.00 | K | NIST |
| Vc | 0.457 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [280.42; 333.35] | J/mol×K | [583.03; 787.21] |
|
| Cp,gas | 280.42 | J/mol×K | 583.03 | Joback Calculated Property |
| Cp,gas | 290.68 | J/mol×K | 617.06 | Joback Calculated Property |
| Cp,gas | 300.33 | J/mol×K | 651.09 | Joback Calculated Property |
| Cp,gas | 309.40 | J/mol×K | 685.12 | Joback Calculated Property |
| Cp,gas | 317.91 | J/mol×K | 719.15 | Joback Calculated Property |
| Cp,gas | 325.89 | J/mol×K | 753.18 | Joback Calculated Property |
| Cp,gas | 333.35 | J/mol×K | 787.21 | Joback Calculated Property |
| η | [0.0001039; 0.0045711] | Pa×s | [340.88; 583.03] |
|
| η | 0.0045711 | Pa×s | 340.88 | Joback Calculated Property |
| η | 0.0017423 | Pa×s | 381.24 | Joback Calculated Property |
| η | 0.0007988 | Pa×s | 421.60 | Joback Calculated Property |
| η | 0.0004197 | Pa×s | 461.95 | Joback Calculated Property |
| η | 0.0002445 | Pa×s | 502.31 | Joback Calculated Property |
| η | 0.0001544 | Pa×s | 542.67 | Joback Calculated Property |
| η | 0.0001039 | Pa×s | 583.03 | Joback Calculated Property |
| ΔfusH | [14.06; 14.06] | kJ/mol | [386.20; 386.20] |
|
| ΔfusH | 14.06 | kJ/mol | 386.20 | NIST |
| ΔfusH | 14.06 | kJ/mol | 386.20 | NIST |
| ΔsubH | [97.60; 98.20] | kJ/mol | [319.50; 320.50] |
|
| ΔsubH | 98.20 | kJ/mol | 319.50 | NIST |
| ΔsubH | 97.60 ± 0.20 | kJ/mol | 320.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [407.00; 578.51] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.46819e+01 | |||
| Coefficient B | -4.60475e+03 | |||
| Coefficient C | -8.71000e+01 | |||
| Temperature range, min. | 407.00 | |||
| Temperature range, max. | 578.51 | |||
| Pvap | 1.33 | kPa | 407.00 | Calculated Property |
| Pvap | 2.99 | kPa | 426.06 | Calculated Property |
| Pvap | 6.17 | kPa | 445.11 | Calculated Property |
| Pvap | 11.82 | kPa | 464.17 | Calculated Property |
| Pvap | 21.27 | kPa | 483.23 | Calculated Property |
| Pvap | 36.27 | kPa | 502.28 | Calculated Property |
| Pvap | 59.01 | kPa | 521.34 | Calculated Property |
| Pvap | 92.16 | kPa | 540.40 | Calculated Property |
| Pvap | 138.85 | kPa | 559.45 | Calculated Property |
| Pvap | 202.64 | kPa | 578.51 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylbenzoic acid.
Sources
- Crippen Method
- Crippen Method
- Thermodynamic study of the sublimation of eight 4-n-alkylbenzoic acids
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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