- InChI
- InChI=1S/C9H12O2/c1-3-7-4-8(10)6-9(5-7)11-2/h4-6,10H,3H2,1-2H3
- InChI Key
- VKVVAKAEARYUDV-UHFFFAOYSA-N
- Formula
- C9H12O2
- SMILES
- CCc1cc(O)cc(OC)c1
- Molecular Weight1
- 152.19
- 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).
- I : 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 | 0.6049 | Relay (1.0) Calculated Property | |
| ΔfG° | -131.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -286.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.963 | Crippen Calculated Property | |
| McVol | 125.650 | ml/mol | McGowan Calculated Property |
| Pc | 3745.38 | kPa | Joback Calculated Property |
| I | [2253.00; 2253.00] |
|
|
| I | 2253.00 | NIST | |
| I | 2253.00 | NIST | |
| Tboil | 528.37 | K | Relay (1.0) Calculated Property |
| Tc | 733.29 | K | Relay (1.0) Calculated Property |
| Tfus | 321.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.449 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [289.84; 353.30] | J/mol×K | [540.02; 760.79] |
|
| Cp,gas | 289.84 | J/mol×K | 540.02 | Joback Calculated Property |
| Cp,gas | 302.09 | J/mol×K | 576.82 | Joback Calculated Property |
| Cp,gas | 313.60 | J/mol×K | 613.61 | Joback Calculated Property |
| Cp,gas | 324.42 | J/mol×K | 650.41 | Joback Calculated Property |
| Cp,gas | 334.61 | J/mol×K | 687.20 | Joback Calculated Property |
| Cp,gas | 344.22 | J/mol×K | 724.00 | Joback Calculated Property |
| Cp,gas | 353.30 | J/mol×K | 760.79 | Joback Calculated Property |
| η | [0.0000505; 0.0014803] | Pa×s | [364.08; 540.02] |
|
| η | 0.0014803 | Pa×s | 364.08 | Joback Calculated Property |
| η | 0.0006835 | Pa×s | 393.40 | Joback Calculated Property |
| η | 0.0003513 | Pa×s | 422.73 | Joback Calculated Property |
| η | 0.0001968 | Pa×s | 452.05 | Joback Calculated Property |
| η | 0.0001183 | Pa×s | 481.37 | Joback Calculated Property |
| η | 0.0000754 | Pa×s | 510.70 | Joback Calculated Property |
| η | 0.0000505 | Pa×s | 540.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Ethyl-5-methoxyphenol.
Sources
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