- InChI
- InChI=1S/C17H16O3/c1-19-12-11-17(13-7-3-2-4-8-13)14-9-5-6-10-15(14)20-16(17)18/h2-10H,11-12H2,1H3
- InChI Key
- RJWYAYIWXFJXBK-UHFFFAOYSA-N
- Formula
- C17H16O3
- SMILES
-
COCCC1(c2ccccc2)C(=O)Oc2ccccc2
1 - Molecular Weight1
- 268.31
- CAS
- 95279-90-6
- 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).
- 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 | 0.5817 | Relay (1.0) Calculated Property | |
| ΔfG° | 49.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -240.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 27.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.928 | Crippen Calculated Property | |
| McVol | 205.320 | ml/mol | McGowan Calculated Property |
| Pc | 2453.17 | kPa | Joback Calculated Property |
| Tboil | 635.03 | K | Relay (1.0) Calculated Property |
| Tc | 913.25 | K | Relay (1.0) Calculated Property |
| Tfus | 390.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.729 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [593.76; 689.68] | J/mol×K | [770.87; 1025.18] | 
|
| Cp,gas | 593.76 | J/mol×K | 770.87 | Joback Calculated Property |
| Cp,gas | 610.98 | J/mol×K | 813.26 | Joback Calculated Property |
| Cp,gas | 627.44 | J/mol×K | 855.64 | Joback Calculated Property |
| Cp,gas | 643.34 | J/mol×K | 898.03 | Joback Calculated Property |
| Cp,gas | 658.88 | J/mol×K | 940.41 | Joback Calculated Property |
| Cp,gas | 674.26 | J/mol×K | 982.80 | Joback Calculated Property |
| Cp,gas | 689.68 | J/mol×K | 1025.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-(Beta-methoxyethyl)-3-phenyl-2-benzofuranone.
Sources
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