- InChI
- InChI=1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3
- InChI Key
- VLDFMKOUUQYFGF-UHFFFAOYSA-N
- Formula
- C12H18O3
- SMILES
- CCCCOCc1ccc(O)c(OC)c1
- Molecular Weight1
- 210.27
- CAS
- 82654-98-6
- Other Names
-
- 4-(butoxymethyl)-2-methoxyphenol
- Vanillyl Butyl Ether
- 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° | -211.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -507.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.08 | kJ/mol | Joback Calculated Property |
| log10WS | -2.78 | Crippen Calculated Property | |
| logPoct/wat | 2.718 | Crippen Calculated Property | |
| McVol | 173.790 | ml/mol | McGowan Calculated Property |
| Pc | 2659.77 | kPa | Joback Calculated Property |
| Inp | 1651.00 | NIST | |
| Tboil | 631.08 | K | Joback Calculated Property |
| Tc | 838.65 | K | Joback Calculated Property |
| Tfus | 420.12 | K | Joback Calculated Property |
| Vc | 0.602 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.98; 531.80] | J/mol×K | [631.08; 838.65] | 
|
| Cp,gas | 455.98 | J/mol×K | 631.08 | Joback Calculated Property |
| Cp,gas | 470.38 | J/mol×K | 665.68 | Joback Calculated Property |
| Cp,gas | 484.03 | J/mol×K | 700.27 | Joback Calculated Property |
| Cp,gas | 496.95 | J/mol×K | 734.87 | Joback Calculated Property |
| Cp,gas | 509.20 | J/mol×K | 769.46 | Joback Calculated Property |
| Cp,gas | 520.80 | J/mol×K | 804.06 | Joback Calculated Property |
| Cp,gas | 531.80 | J/mol×K | 838.65 | Joback Calculated Property |
| η | [0.0000181; 0.0005028] | Pa×s | [420.12; 631.08] |
|
| η | 0.0005028 | Pa×s | 420.12 | Joback Calculated Property |
| η | 0.0002332 | Pa×s | 455.28 | Joback Calculated Property |
| η | 0.0001208 | Pa×s | 490.44 | Joback Calculated Property |
| η | 0.0000683 | Pa×s | 525.60 | Joback Calculated Property |
| η | 0.0000415 | Pa×s | 560.76 | Joback Calculated Property |
| η | 0.0000267 | Pa×s | 595.92 | Joback Calculated Property |
| η | 0.0000181 | Pa×s | 631.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenol, 4-(butoxymethyl)-2-methoxy-.
Sources
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