- InChI
- InChI=1S/C8H8O2/c1-6-2-3-7-8(4-6)10-5-9-7/h2-4H,5H2,1H3
- InChI Key
- GHPODDMCSOYWNE-UHFFFAOYSA-N
- Formula
- C8H8O2
- SMILES
- Cc1ccc2c(c1)OCO2
- Molecular Weight1
- 136.15
- CAS
- 7145-99-5
- Other Names
-
- 1,3-Benzodioxole, 5-methyl-
- 5-methyl-1,3-benzodioxole
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.4413 | Relay (1.0) Calculated Property | |
| ΔfG° | 5.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.90 ± 1.20 | kJ/mol | NIST |
| IE | 7.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.724 | Crippen Calculated Property | |
| McVol | 100.700 | ml/mol | McGowan Calculated Property |
| Pc | 4216.56 | kPa | Joback Calculated Property |
| Tboil | 472.70 | K | NIST |
| Tc | 714.59 | K | Relay (1.0) Calculated Property |
| Tfus | 283.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.392 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [214.69; 273.30] | J/mol×K | [484.39; 713.45] | 
|
| Cp,gas | 214.69 | J/mol×K | 484.39 | Joback Calculated Property |
| Cp,gas | 226.38 | J/mol×K | 522.57 | Joback Calculated Property |
| Cp,gas | 237.23 | J/mol×K | 560.74 | Joback Calculated Property |
| Cp,gas | 247.29 | J/mol×K | 598.92 | Joback Calculated Property |
| Cp,gas | 256.62 | J/mol×K | 637.10 | Joback Calculated Property |
| Cp,gas | 265.27 | J/mol×K | 675.27 | Joback Calculated Property |
| Cp,gas | 273.30 | J/mol×K | 713.45 | Joback Calculated Property |
| η | [0.0004785; 0.0019633] | Pa×s | [306.70; 484.39] |
|
| η | 0.0019633 | Pa×s | 306.70 | Joback Calculated Property |
| η | 0.0013990 | Pa×s | 336.31 | Joback Calculated Property |
| η | 0.0010531 | Pa×s | 365.93 | Joback Calculated Property |
| η | 0.0008272 | Pa×s | 395.54 | Joback Calculated Property |
| η | 0.0006720 | Pa×s | 425.16 | Joback Calculated Property |
| η | 0.0005608 | Pa×s | 454.77 | Joback Calculated Property |
| η | 0.0004785 | Pa×s | 484.39 | Joback Calculated Property |
| ΔvapH | 54.90 | kJ/mol | 298.15 | Experimental and Computational Thermochemistry of 1,3-Benzodioxole Derivatives |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 352.00 ± 1.00 | K | 1.90 | NIST |
Similar Compounds
Find more compounds similar to 3,4-(Methylenedioxy)toluene.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Experimental and Computational Thermochemistry of 1,3-Benzodioxole Derivatives
- Joback Method
- McGowan Method
- NIST Webbook
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