1-Chlorononane

CAS: 2473-01-0 · C9H19Cl

2D Structure

Loading 3D structure...

CAS Registry Number

2473-01-0

SMILES

CCCCCCCCCCl

InChI Key

RKAMCQVGHFRILV-UHFFFAOYSA-N

InChI

InChI=1S/C9H19Cl/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	162.70 g/mol	CAS Common Chemistry
	162.704 g/mol	RDKit
	162.701 g/mol	chempirical lib
Density	0.87 g/cm³	CAS Common Chemistry
	0.8679 g/cm3 @ 20 °C	CAS Common Chemistry
Boiling Point	203.5 °C	CAS Common Chemistry
Canonical SMILES	ClCCCCCCCCC	CAS Common Chemistry
InChI	InChI=1S/C9H19Cl/c1-2-3-4-5-6-7-8-9-10/h2-9H2,1H3	CAS Common Chemistry
InChI Key	InChIKey=RKAMCQVGHFRILV-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	-39.4 °C	CAS Common Chemistry
Name	1-Chlorononane	CAS Common Chemistry
Heavy Atom Count	10	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	7	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	3.975800000000003	RDKit
	3.9758	RDKit
	4.32	chempirical lib
Molar Refractivity	48.71300000000003 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	162.117528288 g/mol	RDKit

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 = 162.70 g/mol; density = 0.870 g/mL. Edit any field — others recompute live.

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