- InChI
- InChI=1S/C8H10O2/c1-2-6-3-4-7(9)8(10)5-6/h3-5,9-10H,2H2,1H3
- InChI Key
- HFLGBNBLMBSXEM-UHFFFAOYSA-N
- Formula
- C8H10O2
- SMILES
- CCc1ccc(O)c(O)c1
- Molecular Weight1
- 138.17
- Other Names
-
- 1,2-Benzenediol, 4-ethyl-
- 4-ethylpyrocatechol
- 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 | 0.6570 | Relay (1.0) Calculated Property | |
| ΔfG° | -180.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -316.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.13 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.660 | Crippen Calculated Property | |
| McVol | 111.560 | ml/mol | McGowan Calculated Property |
| Pc | 5430.51 | kPa | Joback Calculated Property |
| Inp | [1392.00; 1392.00] |
|
|
| Inp | 1392.00 | NIST | |
| Inp | 1392.00 | NIST | |
| Tboil | 530.49 | K | Relay (1.0) Calculated Property |
| Tc | 755.77 | K | Relay (1.0) Calculated Property |
| Tfus | 312.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.378 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.71; 358.37] | 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 | -5.61290e+01 | |||
| Coefficient B | 9.94120e-01 | |||
| Coefficient C | -9.55320e-04 | |||
| Coefficient D | 3.75700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 151.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 192.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 226.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 253.89 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 276.59 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 295.59 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 312.08 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 327.25 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 342.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 358.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0761587; 0.0000114] | Pa×s | [312.15; 566.31] |
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 | -2.21895e+01 | |||
| Coefficient B | 6.12270e+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. | 312.15 | |||
| Temperature range, max. | 566.31 | |||
| η | 0.0761587 | Pa×s | 312.15 | Calculated Property |
| η | 0.0149619 | Pa×s | 340.39 | Calculated Property |
| η | 0.0037717 | Pa×s | 368.63 | Calculated Property |
| η | 0.0011568 | Pa×s | 396.87 | Calculated Property |
| η | 0.0004151 | Pa×s | 425.11 | Calculated Property |
| η | 0.0001693 | Pa×s | 453.35 | Calculated Property |
| η | 0.0000767 | Pa×s | 481.59 | Calculated Property |
| η | 0.0000379 | Pa×s | 509.83 | Calculated Property |
| η | 0.0000202 | Pa×s | 538.07 | Calculated Property |
| η | 0.0000114 | Pa×s | 566.31 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylcatechol.
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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