- InChI
- InChI=1S/C16H17NO/c1-3-7-14(8-4-1)16(13-17-11-12-18-16)15-9-5-2-6-10-15/h1-10,17H,11-13H2
- InChI Key
- SVFBVQXAMFIPIM-UHFFFAOYSA-N
- Formula
- C16H17NO
- SMILES
- c1ccc(C2(c3ccccc3)CNCCO2)cc1
- Molecular Weight1
- 239.31
- CAS
- 77373-34-3
- 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 | 0.4711 | Relay (1.0) Calculated Property | |
| ΔfG° | 329.21 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 104.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.31 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.550 | Crippen Calculated Property | |
| McVol | 193.770 | ml/mol | McGowan Calculated Property |
| Pc | 2999.15 | kPa | Joback Calculated Property |
| Tboil | 612.50 | K | Relay (1.0) Calculated Property |
| Tc | 872.79 | K | Relay (1.0) Calculated Property |
| Tfus | 399.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.684 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [540.83; 649.14] | J/mol×K | [714.13; 995.10] | 
|
| Cp,gas | 540.83 | J/mol×K | 714.13 | Joback Calculated Property |
| Cp,gas | 561.32 | J/mol×K | 760.96 | Joback Calculated Property |
| Cp,gas | 580.43 | J/mol×K | 807.79 | Joback Calculated Property |
| Cp,gas | 598.45 | J/mol×K | 854.62 | Joback Calculated Property |
| Cp,gas | 615.71 | J/mol×K | 901.45 | Joback Calculated Property |
| Cp,gas | 632.51 | J/mol×K | 948.27 | Joback Calculated Property |
| Cp,gas | 649.14 | J/mol×K | 995.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Diphenylmorpholine.
Sources
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