- InChI
- InChI=1S/C9H8O2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2,(H,10,11)
- InChI Key
- IRQWEODKXLDORP-UHFFFAOYSA-N
- Formula
- C9H8O2
- SMILES
- C=Cc1ccc(C(=O)O)cc1
- Molecular Weight1
- 148.16
- CAS
- 1075-49-6
- Other Names
-
- 4-Ethenyl-benzoic acid
- Benzoic acid, 4-ethenyl-
- p-Vinylbenzoic 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 | 0.6725 | Relay (1.0) Calculated Property | |
| ΔfG° | -128.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -238.24 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.57 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.028 | Crippen Calculated Property | |
| McVol | 117.050 | ml/mol | McGowan Calculated Property |
| Pc | 3740.80 | kPa | Joback Calculated Property |
| Tboil | 550.31 | K | Relay (1.0) Calculated Property |
| Tc | 791.15 | K | Relay (1.0) Calculated Property |
| Tfus | 415.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.416 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [145.51; 344.35] | 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 | -2.32900e+01 | |||
| Coefficient B | 7.51200e-01 | |||
| Coefficient C | -5.25460e-04 | |||
| Coefficient D | 1.41900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 145.51 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 182.99 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 215.57 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 243.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 267.85 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 288.44 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 305.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 320.80 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 333.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 344.35 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008207; 0.0002504] | Pa×s | [415.15; 566.57] |
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 | -1.15467e+01 | |||
| Coefficient B | 1.84382e+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. | 415.15 | |||
| Temperature range, max. | 566.57 | |||
| η | 0.0008207 | Pa×s | 415.15 | Calculated Property |
| η | 0.0006903 | Pa×s | 431.97 | Calculated Property |
| η | 0.0005882 | Pa×s | 448.80 | Calculated Property |
| η | 0.0005071 | Pa×s | 465.62 | Calculated Property |
| η | 0.0004417 | Pa×s | 482.45 | Calculated Property |
| η | 0.0003883 | Pa×s | 499.27 | Calculated Property |
| η | 0.0003443 | Pa×s | 516.10 | Calculated Property |
| η | 0.0003075 | Pa×s | 532.92 | Calculated Property |
| η | 0.0002766 | Pa×s | 549.75 | Calculated Property |
| η | 0.0002504 | Pa×s | 566.57 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Vinylbenzoic acid.
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
- Joback Method
- McGowan Method
- NIST Webbook
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