- InChI
- InChI=1S/C12H18O4/c1-13-8-12(16-4)9-5-6-10(14-2)11(7-9)15-3/h5-7,12H,8H2,1-4H3
- InChI Key
- FBZUMNXNTSNNCG-UHFFFAOYSA-N
- Formula
- C12H18O4
- SMILES
- COCC(OC)c1ccc(OC)c(OC)c1
- Molecular Weight1
- 226.27
- 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° | -279.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -611.58 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.33 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.16 | kJ/mol | Joback Calculated Property |
| log10WS | -1.98 | Crippen Calculated Property | |
| logPoct/wat | 2.038 | Crippen Calculated Property | |
| McVol | 179.660 | ml/mol | McGowan Calculated Property |
| Pc | 2206.22 | kPa | Joback Calculated Property |
| Inp | 1634.40 | NIST | |
| Tboil | 599.84 | K | Joback Calculated Property |
| Tc | 798.49 | K | Joback Calculated Property |
| Tfus | 350.38 | K | Joback Calculated Property |
| Vc | 0.665 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [451.37; 533.58] | J/mol×K | [599.84; 798.49] | 
|
| Cp,gas | 451.37 | J/mol×K | 599.84 | Joback Calculated Property |
| Cp,gas | 466.79 | J/mol×K | 632.95 | Joback Calculated Property |
| Cp,gas | 481.55 | J/mol×K | 666.06 | Joback Calculated Property |
| Cp,gas | 495.64 | J/mol×K | 699.16 | Joback Calculated Property |
| Cp,gas | 509.02 | J/mol×K | 732.27 | Joback Calculated Property |
| Cp,gas | 521.68 | J/mol×K | 765.38 | Joback Calculated Property |
| Cp,gas | 533.58 | J/mol×K | 798.49 | Joback Calculated Property |
| η | [0.0000812; 0.0007717] | Pa×s | [350.38; 599.84] |
|
| η | 0.0007717 | Pa×s | 350.38 | Joback Calculated Property |
| η | 0.0004345 | Pa×s | 391.96 | Joback Calculated Property |
| η | 0.0002731 | Pa×s | 433.53 | Joback Calculated Property |
| η | 0.0001862 | Pa×s | 475.11 | Joback Calculated Property |
| η | 0.0001350 | Pa×s | 516.69 | Joback Calculated Property |
| η | 0.0001027 | Pa×s | 558.26 | Joback Calculated Property |
| η | 0.0000812 | Pa×s | 599.84 | Joback Calculated Property |
Similar Compounds
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Sources
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