- InChI
- InChI=1S/C13H20O2/c1-11(2)7-8-15-10-12-5-4-6-13(9-12)14-3/h4-6,9,11H,7-8,10H2,1-3H3
- InChI Key
- ABUNQEZVXVZANU-UHFFFAOYSA-N
- Formula
- C13H20O2
- SMILES
- COc1cccc(COCCC(C)C)c1
- Molecular Weight1
- 208.30
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -51.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -356.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.90 | kJ/mol | Joback Calculated Property |
| log10WS | -3.41 | Crippen Calculated Property | |
| logPoct/wat | 3.258 | Crippen Calculated Property | |
| McVol | 182.010 | ml/mol | McGowan Calculated Property |
| Pc | 2111.94 | kPa | Joback Calculated Property |
| Inp | [1560.00; 1560.00] |
|
|
| Inp | 1560.00 | NIST | |
| Inp | 1560.00 | NIST | |
| Tboil | 572.90 | K | Joback Calculated Property |
| Tc | 771.30 | K | Joback Calculated Property |
| Tfus | 304.67 | K | Joback Calculated Property |
| Vc | 0.685 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [447.87; 537.16] | J/mol×K | [572.90; 771.30] |
|
| Cp,gas | 447.87 | J/mol×K | 572.90 | Joback Calculated Property |
| Cp,gas | 464.73 | J/mol×K | 605.97 | Joback Calculated Property |
| Cp,gas | 480.79 | J/mol×K | 639.03 | Joback Calculated Property |
| Cp,gas | 496.06 | J/mol×K | 672.10 | Joback Calculated Property |
| Cp,gas | 510.54 | J/mol×K | 705.17 | Joback Calculated Property |
| Cp,gas | 524.23 | J/mol×K | 738.24 | Joback Calculated Property |
| Cp,gas | 537.16 | J/mol×K | 771.30 | Joback Calculated Property |
| η | [0.0001178; 0.0018691] | Pa×s | [304.67; 572.90] |
|
| η | 0.0018691 | Pa×s | 304.67 | Joback Calculated Property |
| η | 0.0008781 | Pa×s | 349.38 | Joback Calculated Property |
| η | 0.0004897 | Pa×s | 394.08 | Joback Calculated Property |
| η | 0.0003076 | Pa×s | 438.78 | Joback Calculated Property |
| η | 0.0002105 | Pa×s | 483.49 | Joback Calculated Property |
| η | 0.0001537 | Pa×s | 528.19 | Joback Calculated Property |
| η | 0.0001178 | Pa×s | 572.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (3-Methoxyphenyl) methanol, 3-methylbutyl ether.
Sources
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