- InChI
- InChI=1S/C16H19OP/c1-16(2,3)18(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
- InChI Key
- CHFOAXGMRFQIOK-UHFFFAOYSA-N
- Formula
- C16H19OP
- SMILES
-
CC(C)(C)P(=O)(c1ccccc1)c1ccccc
1 - Molecular Weight1
- 258.30
- CAS
- 56598-35-7
- Other Names
-
- Phosphine oxide, (1,1-dimethylethyl)diphenyl-
- tert-Butyldiphenylphosphine oxide
- Phosphine oxide, tert-butyldiphenyl-
- Phosphine oxide, t-butyldiphenyl-
- t-C4H9(C6H5)2PO
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.4546 | Relay (1.0) Calculated Property | |
| PAff | 908.90 | kJ/mol | NIST |
| BasG | 876.40 | kJ/mol | NIST |
| ΔfG° | 156.27 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -70.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 87.36 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.03 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.799 | Crippen Calculated Property | |
| McVol | 215.110 | ml/mol | McGowan Calculated Property |
| Pc | 1925.28 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 622.62 | K | Relay (1.0) Calculated Property |
| Tc | 847.45 | K | Relay (1.0) Calculated Property |
| Tfus | 423.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.756 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to ((CH3)3C)(C6H5)2P=O.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- McGowan Method
- NIST Webbook
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