- InChI
- InChI=1S/C12H16O4/c1-4-5-16-12-7-10(14-2)9(8-13)6-11(12)15-3/h6-8H,4-5H2,1-3H3
- InChI Key
- QSBRHRZLPYAVNF-UHFFFAOYSA-N
- Formula
- C12H16O4
- SMILES
- CCCOc1cc(OC)c(C=O)cc1OC
- Molecular Weight1
- 224.25
- 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° | -280.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -571.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.52 | kJ/mol | Joback Calculated Property |
| log10WS | -2.91 | Crippen Calculated Property | |
| logPoct/wat | 2.305 | Crippen Calculated Property | |
| McVol | 175.360 | ml/mol | McGowan Calculated Property |
| Pc | 2354.20 | kPa | Joback Calculated Property |
| Inp | 1895.00 | NIST | |
| Tboil | 631.50 | K | Joback Calculated Property |
| Tc | 832.05 | K | Joback Calculated Property |
| Tfus | 397.67 | K | Joback Calculated Property |
| Vc | 0.670 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [444.17; 516.59] | J/mol×K | [631.50; 832.05] | 
|
| Cp,gas | 444.17 | J/mol×K | 631.50 | Joback Calculated Property |
| Cp,gas | 457.90 | J/mol×K | 664.93 | Joback Calculated Property |
| Cp,gas | 471.00 | J/mol×K | 698.35 | Joback Calculated Property |
| Cp,gas | 483.43 | J/mol×K | 731.78 | Joback Calculated Property |
| Cp,gas | 495.19 | J/mol×K | 765.20 | Joback Calculated Property |
| Cp,gas | 506.25 | J/mol×K | 798.63 | Joback Calculated Property |
| Cp,gas | 516.59 | J/mol×K | 832.05 | Joback Calculated Property |
| η | [0.0001239; 0.0007127] | Pa×s | [397.67; 631.50] |
|
| η | 0.0007127 | Pa×s | 397.67 | Joback Calculated Property |
| η | 0.0004675 | Pa×s | 436.64 | Joback Calculated Property |
| η | 0.0003286 | Pa×s | 475.61 | Joback Calculated Property |
| η | 0.0002436 | Pa×s | 514.59 | Joback Calculated Property |
| η | 0.0001884 | Pa×s | 553.56 | Joback Calculated Property |
| η | 0.0001507 | Pa×s | 592.53 | Joback Calculated Property |
| η | 0.0001239 | Pa×s | 631.50 | Joback Calculated Property |
Similar Compounds
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Sources
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