- InChI
- InChI=1S/C12H14O4/c1-3-14-12(13)11-8(2)15-9-6-4-5-7-10(9)16-11/h4-8,11H,3H2,1-2H3
- InChI Key
- JTBHBFGHWBSLFU-UHFFFAOYSA-N
- Formula
- C12H14O4
- SMILES
- CCOC(=O)C1Oc2ccccc2OC1C
- Molecular Weight1
- 222.24
- 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).
- 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).
- 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 | 0.5294 | Relay (... Calculated Property | |
| ΔfG° | -212.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -617.89 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 36.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.63 | kJ/mol | Relay (... Calculated Property |
| IE | 8.41 | eV | Relay (... Calculated Property |
| log10WS | -2.57 | Relay (... Calculated Property | |
| logPoct/wat | 1.778 | Crippen Calculated Property | |
| McVol | 164.500 | ml/mol | McGowan Calculated Property |
| Pc | 2758.46 | kPa | Joback Calculated Property |
| Tboil | 554.09 | K | Relay (... Calculated Property |
| Tc | 782.93 | K | Relay (... Calculated Property |
| Tfus | 350.59 | K | Relay (... Calculated Property |
| Vc | 0.622 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.33; 520.88] | J/mol×K | [642.15; 866.52] | 
|
| Cp,gas | 443.33 | J/mol×K | 642.15 | Joback Calculated Property |
| Cp,gas | 458.72 | J/mol×K | 679.54 | Joback Calculated Property |
| Cp,gas | 473.08 | J/mol×K | 716.94 | Joback Calculated Property |
| Cp,gas | 486.45 | J/mol×K | 754.33 | Joback Calculated Property |
| Cp,gas | 498.85 | J/mol×K | 791.73 | Joback Calculated Property |
| Cp,gas | 510.32 | J/mol×K | 829.12 | Joback Calculated Property |
| Cp,gas | 520.88 | J/mol×K | 866.52 | Joback Calculated Property |
| η | [0.0003632; 0.0018051] | Pa×s | [399.42; 642.15] |
|
| η | 0.0018051 | Pa×s | 399.42 | Joback Calculated Property |
| η | 0.0012220 | Pa×s | 439.88 | Joback Calculated Property |
| η | 0.0008834 | Pa×s | 480.33 | Joback Calculated Property |
| η | 0.0006717 | Pa×s | 520.78 | Joback Calculated Property |
| η | 0.0005313 | Pa×s | 561.24 | Joback Calculated Property |
| η | 0.0004337 | Pa×s | 601.69 | Joback Calculated Property |
| η | 0.0003632 | Pa×s | 642.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Methyl-1,4-benzodioxan-2-carboxylic acid, ethyl ester.
Sources
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