- InChI
- InChI=1S/C10H10O2/c1-7(11)9-10(12-9)8-5-3-2-4-6-8/h2-6,9-10H,1H3/t9-,10-/m1/s1
- InChI Key
- IGCQIHCZUYCYAA-NXEZZACHSA-N
- Formula
- C10H10O2
- SMILES
- CC(=O)C1OC1c1ccccc1
- Molecular Weight1
- 162.19
- ω : Acentric Factor.
- 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).
- 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 | 0.3951 | Relay (... Calculated Property | |
| ΔfG° | -16.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -175.38 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 24.48 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.63 | kJ/mol | Relay (... Calculated Property |
| IE | 8.96 | eV | Relay (... Calculated Property |
| log10WS | -1.14 | Relay (... Calculated Property | |
| logPoct/wat | 1.716 | Crippen Calculated Property | |
| McVol | 124.580 | ml/mol | McGowan Calculated Property |
| Pc | 3476.55 | kPa | Joback Calculated Property |
| Inp | 1340.00 | NIST | |
| Tboil | 495.78 | K | Relay (... Calculated Property |
| Tc | 745.64 | K | Relay (... Calculated Property |
| Tfus | 333.21 | K | Relay (... Calculated Property |
| Vc | 0.462 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.34; 365.19] | J/mol×K | [537.77; 767.59] | 
|
| Cp,gas | 292.34 | J/mol×K | 537.77 | Joback Calculated Property |
| Cp,gas | 306.92 | J/mol×K | 576.07 | Joback Calculated Property |
| Cp,gas | 320.44 | J/mol×K | 614.38 | Joback Calculated Property |
| Cp,gas | 332.96 | J/mol×K | 652.68 | Joback Calculated Property |
| Cp,gas | 344.56 | J/mol×K | 690.98 | Joback Calculated Property |
| Cp,gas | 355.28 | J/mol×K | 729.29 | Joback Calculated Property |
| Cp,gas | 365.19 | J/mol×K | 767.59 | Joback Calculated Property |
| η | [0.0006230; 0.0022140] | Pa×s | [319.08; 537.77] |
|
| η | 0.0022140 | Pa×s | 319.08 | Joback Calculated Property |
| η | 0.0016082 | Pa×s | 355.53 | Joback Calculated Property |
| η | 0.0012397 | Pa×s | 391.98 | Joback Calculated Property |
| η | 0.0009989 | Pa×s | 428.43 | Joback Calculated Property |
| η | 0.0008326 | Pa×s | 464.87 | Joback Calculated Property |
| η | 0.0007127 | Pa×s | 501.32 | Joback Calculated Property |
| η | 0.0006230 | Pa×s | 537.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-4-Phenylbut-3,4-epoxy-2-one.
Sources
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