- InChI
- InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3
- InChI Key
- ORJDDOBAOGKRJV-UHFFFAOYSA-N
- Formula
- C16H14O4
- SMILES
-
COc1cc(O)c2c(c1)OC(c1ccccc1)CC
2=O - Molecular Weight1
- 270.28
- CAS
- 480-37-5
- Other Names
-
- Pinostrobin
- 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).
- 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° | -130.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -436.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.35 | kJ/mol | Joback Calculated Property |
| log10WS | -3.89 | Crippen Calculated Property | |
| logPoct/wat | 3.107 | Crippen Calculated Property | |
| McVol | 197.100 | ml/mol | McGowan Calculated Property |
| Pc | 3055.79 | kPa | Joback Calculated Property |
| Inp | [2434.20; 2434.20] |
|
|
| Inp | 2434.20 | NIST | |
| Inp | 2434.20 | NIST | |
| Tboil | 837.62 | K | Joback Calculated Property |
| Tc | 1102.10 | K | Joback Calculated Property |
| Tfus | 591.12 | K | Joback Calculated Property |
| Vc | 0.676 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [594.69; 666.76] | J/mol×K | [837.62; 1102.10] |
|
| Cp,gas | 594.69 | J/mol×K | 837.62 | Joback Calculated Property |
| Cp,gas | 609.16 | J/mol×K | 881.70 | Joback Calculated Property |
| Cp,gas | 622.52 | J/mol×K | 925.78 | Joback Calculated Property |
| Cp,gas | 634.84 | J/mol×K | 969.86 | Joback Calculated Property |
| Cp,gas | 646.26 | J/mol×K | 1013.94 | Joback Calculated Property |
| Cp,gas | 656.86 | J/mol×K | 1058.02 | Joback Calculated Property |
| Cp,gas | 666.76 | J/mol×K | 1102.10 | Joback Calculated Property |
Similar Compounds
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Sources
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