- InChI
- InChI=1S/C12H16O5/c1-7-10(12(13)17-5)8(14-2)6-9(15-3)11(7)16-4/h6H,1-5H3
- InChI Key
- JVDDGFUMQFNKGJ-UHFFFAOYSA-N
- Formula
- C12H16O5
- SMILES
- COC(=O)c1c(OC)cc(OC)c(OC)c1C
- Molecular Weight1
- 240.25
- 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° | -424.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -741.82 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.62 | kJ/mol | Joback Calculated Property |
| log10WS | -2.55 | Crippen Calculated Property | |
| logPoct/wat | 1.807 | Crippen Calculated Property | |
| McVol | 181.230 | ml/mol | McGowan Calculated Property |
| Pc | 2258.96 | kPa | Joback Calculated Property |
| Inp | [1706.00; 1706.00] |
|
|
| Inp | 1706.00 | NIST | |
| Inp | 1706.00 | NIST | |
| Tboil | 664.11 | K | Joback Calculated Property |
| Tc | 867.85 | K | Joback Calculated Property |
| Tfus | 440.35 | K | Joback Calculated Property |
| Vc | 0.677 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [468.52; 540.27] | J/mol×K | [664.11; 867.85] |
|
| Cp,gas | 468.52 | J/mol×K | 664.11 | Joback Calculated Property |
| Cp,gas | 482.27 | J/mol×K | 698.07 | Joback Calculated Property |
| Cp,gas | 495.35 | J/mol×K | 732.02 | Joback Calculated Property |
| Cp,gas | 507.73 | J/mol×K | 765.98 | Joback Calculated Property |
| Cp,gas | 519.37 | J/mol×K | 799.94 | Joback Calculated Property |
| Cp,gas | 530.23 | J/mol×K | 833.90 | Joback Calculated Property |
| Cp,gas | 540.27 | J/mol×K | 867.85 | Joback Calculated Property |
| η | [0.0000883; 0.0004089] | Pa×s | [440.35; 664.11] |
|
| η | 0.0004089 | Pa×s | 440.35 | Joback Calculated Property |
| η | 0.0002867 | Pa×s | 477.64 | Joback Calculated Property |
| η | 0.0002116 | Pa×s | 514.94 | Joback Calculated Property |
| η | 0.0001627 | Pa×s | 552.23 | Joback Calculated Property |
| η | 0.0001293 | Pa×s | 589.52 | Joback Calculated Property |
| η | 0.0001057 | Pa×s | 626.82 | Joback Calculated Property |
| η | 0.0000883 | Pa×s | 664.11 | Joback Calculated Property |
Similar Compounds
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Sources
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