![(R,E)-6-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-4-methoxy-5,6-dihydro-2H-pyran-2-one](/cid/76-923-3/R-E-6-2-Benzo-d-1-3-dioxol-5-yl-vinyl-4-methoxy-5-6-dihydro-2H-pyran-2-one.png "(R,E)-6-(2-(Benzo[d][1,3]dioxol-5-yl)vinyl)-4-methoxy-5,6-dihydro-2H-pyran-2-one")
- InChI
- InChI=1S/C15H14O5/c1-17-11-7-3-5-9-13(11)19-15(16)20-14-10-6-4-8-12(14)18-2/h3-10H,1-2H3
- InChI Key
- ORUJFMPWKPVXLZ-UHFFFAOYSA-N
- Formula
- C15H14O5
- SMILES
- COc1ccccc1OC(=O)Oc1ccccc1OC
- Molecular Weight1
- 274.27
- CAS
- 495-85-2
- 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° | -267.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -544.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.25 | kJ/mol | Joback Calculated Property |
| log10WS | -3.93 | Crippen Calculated Property | |
| logPoct/wat | 3.282 | Crippen Calculated Property | |
| McVol | 199.740 | ml/mol | McGowan Calculated Property |
| Pc | 2424.27 | kPa | Joback Calculated Property |
| Inp | 2701.30 | NIST | |
| Tboil | 749.47 | K | Joback Calculated Property |
| Tc | 978.94 | K | Joback Calculated Property |
| Tfus | 475.54 | K | Joback Calculated Property |
| Vc | 0.738 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [542.40; 609.17] | J/mol×K | [749.47; 978.94] | 
|
| Cp,gas | 542.40 | J/mol×K | 749.47 | Joback Calculated Property |
| Cp,gas | 556.51 | J/mol×K | 787.71 | Joback Calculated Property |
| Cp,gas | 569.46 | J/mol×K | 825.96 | Joback Calculated Property |
| Cp,gas | 581.22 | J/mol×K | 864.20 | Joback Calculated Property |
| Cp,gas | 591.77 | J/mol×K | 902.45 | Joback Calculated Property |
| Cp,gas | 601.09 | J/mol×K | 940.69 | Joback Calculated Property |
| Cp,gas | 609.17 | J/mol×K | 978.94 | Joback Calculated Property |
| η | [0.0000640; 0.0004117] | Pa×s | [475.54; 749.47] |
|
| η | 0.0004117 | Pa×s | 475.54 | Joback Calculated Property |
| η | 0.0002635 | Pa×s | 521.20 | Joback Calculated Property |
| η | 0.0001812 | Pa×s | 566.85 | Joback Calculated Property |
| η | 0.0001318 | Pa×s | 612.51 | Joback Calculated Property |
| η | 0.0001002 | Pa×s | 658.16 | Joback Calculated Property |
| η | 0.0000789 | Pa×s | 703.82 | Joback Calculated Property |
| η | 0.0000640 | Pa×s | 749.47 | Joback Calculated Property |
Similar Compounds
Sources
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