- InChI
- InChI=1S/C11H16O4/c1-12-7-8-5-9(13-2)11(15-4)10(6-8)14-3/h5-6H,7H2,1-4H3
- InChI Key
- MRSLZYLPFVSLDY-UHFFFAOYSA-N
- Formula
- C11H16O4
- SMILES
- COCc1cc(OC)c(OC)c(OC)c1
- Molecular Weight1
- 212.24
- CAS
- 75921-68-5
- 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° | -294.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -597.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.98 | kJ/mol | Joback Calculated Property |
| log10WS | -2.22 | Crippen Calculated Property | |
| logPoct/wat | 1.859 | Crippen Calculated Property | |
| McVol | 165.570 | ml/mol | McGowan Calculated Property |
| Pc | 2365.67 | kPa | Joback Calculated Property |
| Inp | [1708.00; 1708.00] |
|
|
| Inp | 1708.00 | NIST | |
| Inp | 1708.00 | NIST | |
| Tboil | 582.38 | K | Joback Calculated Property |
| Tc | 780.84 | K | Joback Calculated Property |
| Tfus | 366.63 | K | Joback Calculated Property |
| Vc | 0.616 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [401.56; 477.68] | J/mol×K | [582.38; 780.84] |
|
| Cp,gas | 401.56 | J/mol×K | 582.38 | Joback Calculated Property |
| Cp,gas | 415.64 | J/mol×K | 615.46 | Joback Calculated Property |
| Cp,gas | 429.21 | J/mol×K | 648.53 | Joback Calculated Property |
| Cp,gas | 442.23 | J/mol×K | 681.61 | Joback Calculated Property |
| Cp,gas | 454.67 | J/mol×K | 714.69 | Joback Calculated Property |
| Cp,gas | 466.50 | J/mol×K | 747.76 | Joback Calculated Property |
| Cp,gas | 477.68 | J/mol×K | 780.84 | Joback Calculated Property |
| η | [0.0000937; 0.0005294] | Pa×s | [366.63; 582.38] |
|
| η | 0.0005294 | Pa×s | 366.63 | Joback Calculated Property |
| η | 0.0003487 | Pa×s | 402.59 | Joback Calculated Property |
| η | 0.0002459 | Pa×s | 438.55 | Joback Calculated Property |
| η | 0.0001829 | Pa×s | 474.50 | Joback Calculated Property |
| η | 0.0001418 | Pa×s | 510.46 | Joback Calculated Property |
| η | 0.0001137 | Pa×s | 546.42 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 582.38 | Joback Calculated Property |
Similar Compounds
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Sources
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