- InChI
- InChI=1S/C10H12O2/c1-2-8-3-5-9(6-4-8)7-10(11)12/h3-6H,2,7H2,1H3,(H,11,12)
- InChI Key
- QMBLXRHXCGJOGU-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- CCc1ccc(CC(=O)O)cc1
- Molecular Weight1
- 164.20
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.7088 | Relay (1.0) Calculated Property | |
| ΔfG° | -207.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -383.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.876 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 3181.14 | kPa | Joback Calculated Property |
| Inp | 1452.00 | NIST | |
| Tboil | 554.95 | K | Relay (1.0) Calculated Property |
| Tc | 776.60 | K | Relay (1.0) Calculated Property |
| Tfus | 324.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.493 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.54; 424.45] | 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 | -2.12080e+01 | |||
| Coefficient B | 8.66220e-01 | |||
| Coefficient C | -5.56960e-04 | |||
| Coefficient D | 1.36400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 176.54 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 221.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 261.23 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 295.94 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 326.13 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 352.24 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 374.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 393.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 410.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 424.45 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011172; 0.0002441] | Pa×s | [402.00; 578.58] |
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 | -1.17799e+01 | |||
| Coefficient B | 2.00314e+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. | 402.00 | |||
| Temperature range, max. | 578.58 | |||
| η | 0.0011172 | Pa×s | 402.00 | Calculated Property |
| η | 0.0008860 | Pa×s | 421.62 | Calculated Property |
| η | 0.0007172 | Pa×s | 441.24 | Calculated Property |
| η | 0.0005912 | Pa×s | 460.86 | Calculated Property |
| η | 0.0004950 | Pa×s | 480.48 | Calculated Property |
| η | 0.0004203 | Pa×s | 500.10 | Calculated Property |
| η | 0.0003614 | Pa×s | 519.72 | Calculated Property |
| η | 0.0003141 | Pa×s | 539.34 | Calculated Property |
| η | 0.0002757 | Pa×s | 558.96 | Calculated Property |
| η | 0.0002441 | Pa×s | 578.58 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylphenylacetic acid.
Sources
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