![2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, [R-(E)]-](/cid/89-896-0/2H-Pyran-2-one-5-6-dihydro-4-methoxy-6-2-phenylethenyl-R-E.png "2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, [R-(E)]-")
- InChI
- InChI=1S/C14H14O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h2-8,10,12H,9H2,1H3/b8-7+/t12-/m0/s1
- InChI Key
- XEAQIWGXBXCYFX-GUOLPTJISA-N
- Formula
- C14H14O3
- SMILES
- COC1=CC(=O)OC(C=Cc2ccccc2)C1
- Molecular Weight1
- 230.26
- CAS
- 500-64-1
- Other Names
-
- 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-styryl-, (R)-
- (+)-Kavain
- Gonosan
- Kavain
- Kawain
- 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-styryl-, (+)-
- (R)-5,6-Dihydro-4-methoxy-6-styryl-2H-pyran-2-one
- NSC 112162
- [R-(E)]-5,6-dihydro-4-methoxy-6-styryl-2H-pyran-2-one
- (R,E)-4-Methoxy-6-styryl-5,6-dihydro-2H-pyran-2-one
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.4728 | Relay (... Calculated Property | |
| ΔfG° | -9.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -309.93 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 27.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.55 | kJ/mol | Relay (... Calculated Property |
| IE | 8.22 | eV | Relay (... Calculated Property |
| log10WS | -3.52 | Relay (... Calculated Property | |
| logPoct/wat | 2.546 | Crippen Calculated Property | |
| McVol | 178.210 | ml/mol | McGowan Calculated Property |
| Pc | 2646.11 | kPa | Joback Calculated Property |
| Inp | [2271.90; 2271.90] |
|
|
| Inp | 2271.90 | NIST | |
| Inp | 2271.90 | NIST | |
| Tboil | 619.52 | K | Relay (... Calculated Property |
| Tc | 824.43 | K | Relay (... Calculated Property |
| Tfus | 351.21 | K | Relay (... Calculated Property |
| Vc | 0.620 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [483.27; 567.59] | J/mol×K | [691.44; 941.90] |
|
| Cp,gas | 483.27 | J/mol×K | 691.44 | Joback Calculated Property |
| Cp,gas | 500.71 | J/mol×K | 733.18 | Joback Calculated Property |
| Cp,gas | 516.77 | J/mol×K | 774.93 | Joback Calculated Property |
| Cp,gas | 531.47 | J/mol×K | 816.67 | Joback Calculated Property |
| Cp,gas | 544.83 | J/mol×K | 858.41 | Joback Calculated Property |
| Cp,gas | 556.87 | J/mol×K | 900.15 | Joback Calculated Property |
| Cp,gas | 567.59 | J/mol×K | 941.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethenyl)-, [R-(E)]-.
Sources
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