- InChI
- InChI=1S/C16H18O4/c1-10(16(17)20-4)11-5-7-13-12(9-11)6-8-14(18-2)15(13)19-3/h5-10H,1-4H3
- InChI Key
- MXDKTYZSLFNANP-UHFFFAOYSA-N
- Formula
- C16H18O4
- SMILES
-
COC(=O)C(C)c1ccc2c(OC)c(OC)ccc
2c1 - Molecular Weight1
- 274.31
- 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° | -172.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -494.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.70 | kJ/mol | Joback Calculated Property |
| log10WS | -3.98 | Crippen Calculated Property | |
| logPoct/wat | 3.134 | Crippen Calculated Property | |
| McVol | 212.260 | ml/mol | McGowan Calculated Property |
| Pc | 2060.49 | kPa | Joback Calculated Property |
| Inp | [2120.00; 2120.00] |
|
|
| Inp | 2120.00 | NIST | |
| Inp | 2120.00 | NIST | |
| Tboil | 746.77 | K | Joback Calculated Property |
| Tc | 965.81 | K | Joback Calculated Property |
| Tfus | 468.38 | K | Joback Calculated Property |
| Vc | 0.799 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [589.20; 663.04] | J/mol×K | [746.77; 965.81] |
|
| Cp,gas | 589.20 | J/mol×K | 746.77 | Joback Calculated Property |
| Cp,gas | 603.99 | J/mol×K | 783.28 | Joback Calculated Property |
| Cp,gas | 617.77 | J/mol×K | 819.78 | Joback Calculated Property |
| Cp,gas | 630.55 | J/mol×K | 856.29 | Joback Calculated Property |
| Cp,gas | 642.35 | J/mol×K | 892.79 | Joback Calculated Property |
| Cp,gas | 653.17 | J/mol×K | 929.30 | Joback Calculated Property |
| Cp,gas | 663.04 | J/mol×K | 965.81 | Joback Calculated Property |
| η | [0.0001246; 0.0006366] | Pa×s | [468.38; 746.77] |
|
| η | 0.0006366 | Pa×s | 468.38 | Joback Calculated Property |
| η | 0.0004292 | Pa×s | 514.78 | Joback Calculated Property |
| η | 0.0003088 | Pa×s | 561.18 | Joback Calculated Property |
| η | 0.0002336 | Pa×s | 607.58 | Joback Calculated Property |
| η | 0.0001839 | Pa×s | 653.97 | Joback Calculated Property |
| η | 0.0001494 | Pa×s | 700.37 | Joback Calculated Property |
| η | 0.0001246 | Pa×s | 746.77 | Joback Calculated Property |
Similar Compounds
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Sources
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