Diethylphenylphosphine

CAS: 1605-53-4 · C10H15P

2D Structure

Loading 3D structure...

CAS Registry Number

1605-53-4

SMILES

CCP(CC)c1ccccc1

InChI Key

LVTCZSBUROAWTE-UHFFFAOYSA-N

InChI

InChI=1S/C10H15P/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	166.20 g/mol	CAS Common Chemistry
	166.204 g/mol	RDKit
Density	0.94 g/cm³	CAS Common Chemistry
	0.9445 g/cm3 @ 20 °C	CAS Common Chemistry
Canonical SMILES	C=1C=CC(=CC1)P(CC)CC	CAS Common Chemistry
InChI	InChI=1S/C10H15P/c1-3-11(4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3	CAS Common Chemistry
InChI Key	InChIKey=LVTCZSBUROAWTE-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	45 °C	CAS Common Chemistry
Name	Diethylphenylphosphine	CAS Common Chemistry
Heavy Atom Count	11	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	3	RDKit
Aromatic Ring Count	1	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	2.8336000000000015	RDKit
	2.8336	RDKit
Molar Refractivity	54.07800000000004 cm³/mol	RDKit
Ring Count	1	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.4	RDKit
Exact Mass	166.09113711 g/mol	RDKit
Boiling Point	100-121 °C @ 10 Torr	CAS Common Chemistry

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 166.20 g/mol; density = 0.940 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)