- InChI
- InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3
- InChI Key
- TZJLGGWGVLADDN-UHFFFAOYSA-N
- Formula
- C11H12O3
- SMILES
- CC(=O)CCc1ccc2c(c1)OCO2
- Molecular Weight1
- 192.21
- CAS
- 55418-52-5
- Other Names
-
- 3,4-Methylenedioxybenzylacetone
- 2-Butanone, 4-(1,3-benzodioxol-5-yl)-
- 4-(1,3-benzodioxol-5-yl)butan-2-one
- 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).
- 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° | -97.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -340.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.67 | kJ/mol | Joback Calculated Property |
| log10WS | -2.60 | Crippen Calculated Property | |
| logPoct/wat | 1.937 | Crippen Calculated Property | |
| McVol | 144.540 | ml/mol | McGowan Calculated Property |
| Pc | 3210.04 | kPa | Joback Calculated Property |
| Tboil | 606.90 | K | Joback Calculated Property |
| Tc | 831.96 | K | Joback Calculated Property |
| Tfus | 390.44 | K | Joback Calculated Property |
| Vc | 0.549 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [362.64; 428.69] | J/mol×K | [606.90; 831.96] | 
|
| Cp,gas | 362.64 | J/mol×K | 606.90 | Joback Calculated Property |
| Cp,gas | 375.70 | J/mol×K | 644.41 | Joback Calculated Property |
| Cp,gas | 387.85 | J/mol×K | 681.92 | Joback Calculated Property |
| Cp,gas | 399.17 | J/mol×K | 719.43 | Joback Calculated Property |
| Cp,gas | 409.70 | J/mol×K | 756.94 | Joback Calculated Property |
| Cp,gas | 419.52 | J/mol×K | 794.45 | Joback Calculated Property |
| Cp,gas | 428.69 | J/mol×K | 831.96 | Joback Calculated Property |
| η | [0.0004673; 0.0022259] | Pa×s | [390.44; 606.90] |
|
| η | 0.0022259 | Pa×s | 390.44 | Joback Calculated Property |
| η | 0.0015372 | Pa×s | 426.52 | Joback Calculated Property |
| η | 0.0011247 | Pa×s | 462.59 | Joback Calculated Property |
| η | 0.0008609 | Pa×s | 498.67 | Joback Calculated Property |
| η | 0.0006832 | Pa×s | 534.75 | Joback Calculated Property |
| η | 0.0005583 | Pa×s | 570.82 | Joback Calculated Property |
| η | 0.0004673 | Pa×s | 606.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(3,4-Methylenedioxyphenyl)-2-butanone.
Sources
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