- InChI
- InChI=1S/C10H12O2/c1-3-4-8-5-6-10(12-2)9(11)7-8/h3,5-7,11H,1,4H2,2H3
- InChI Key
- NPBVQXIMTZKSBA-UHFFFAOYSA-N
- Formula
- C10H12O2
- SMILES
- C=CCc1ccc(OC)c(O)c1
- Molecular Weight1
- 164.20
- CAS
- 501-19-9
- Other Names
-
- Phenol, 2-methoxy-5-(2-propenyl)-
- 2-Methoxy-5-(2-propenyl)phenol
- Chavibetol
- Phenol, 5-allyl-2-methoxy-
- m-Eugenol
- Chavibetol (m-Eugenol)
- Chavibetol (2-Methoxy-5-(2-propenyl)phenol)
- 5-Allyl-2-methoxyphenol
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Inp : Non-polar retention indices.
- 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 |
|---|---|---|---|
| ΔfG° | -35.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -208.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.55 | kJ/mol | Joback Calculated Property |
| log10WS | -2.21 | Crippen Calculated Property | |
| logPoct/wat | 2.129 | Crippen Calculated Property | |
| McVol | 135.440 | ml/mol | McGowan Calculated Property |
| Pc | 3509.58 | kPa | Joback Calculated Property |
| Inp | [1350.00; 1392.00] |
|
|
| Inp | 1350.00 | NIST | |
| Inp | 1392.00 | NIST | |
| Inp | 1362.00 | NIST | |
| Inp | 1350.00 | NIST | |
| I | [2217.00; 2232.00] |
|
|
| I | 2232.00 | NIST | |
| I | 2217.00 | NIST | |
| I | 2217.00 | NIST | |
| Tboil | 559.58 | K | Joback Calculated Property |
| Tc | 781.19 | K | Joback Calculated Property |
| Tfus | 373.59 | K | Joback Calculated Property |
| Vc | 0.453 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [315.44; 379.59] | J/mol×K | [559.58; 781.19] |
|
| Cp,gas | 315.44 | J/mol×K | 559.58 | Joback Calculated Property |
| Cp,gas | 327.88 | J/mol×K | 596.52 | Joback Calculated Property |
| Cp,gas | 339.55 | J/mol×K | 633.45 | Joback Calculated Property |
| Cp,gas | 350.49 | J/mol×K | 670.39 | Joback Calculated Property |
| Cp,gas | 360.77 | J/mol×K | 707.32 | Joback Calculated Property |
| Cp,gas | 370.45 | J/mol×K | 744.26 | Joback Calculated Property |
| Cp,gas | 379.59 | J/mol×K | 781.19 | Joback Calculated Property |
| η | [0.0000422; 0.0012460] | Pa×s | [373.59; 559.58] |
|
| η | 0.0012460 | Pa×s | 373.59 | Joback Calculated Property |
| η | 0.0005711 | Pa×s | 404.59 | Joback Calculated Property |
| η | 0.0002925 | Pa×s | 435.59 | Joback Calculated Property |
| η | 0.0001637 | Pa×s | 466.59 | Joback Calculated Property |
| η | 0.0000985 | Pa×s | 497.58 | Joback Calculated Property |
| η | 0.0000629 | Pa×s | 528.58 | Joback Calculated Property |
| η | 0.0000422 | Pa×s | 559.58 | Joback Calculated Property |
| ΔvapH | 61.40 | kJ/mol | 436.00 | NIST |
Similar Compounds
Find more compounds similar to 3-Allyl-6-methoxyphenol.
Sources
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