1-Chlorodecane

CAS: 1002-69-3 · C10H21Cl

2D Structure

Loading 3D structure...

CAS Registry Number

1002-69-3

SMILES

CCCCCCCCCCCl

InChI Key

ZTEHOZMYMCEYRM-UHFFFAOYSA-N

InChI

InChI=1S/C10H21Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	176.73 g/mol	CAS Common Chemistry
	176.731 g/mol	RDKit
	176.728 g/mol	chempirical lib
Density	0.87 g/cm³	CAS Common Chemistry
	0.8696 g/cm3 @ 20 °C	CAS Common Chemistry
Boiling Point	223.4 °C	CAS Common Chemistry
Canonical SMILES	ClCCCCCCCCCC	CAS Common Chemistry
InChI	InChI=1S/C10H21Cl/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3	CAS Common Chemistry
InChI Key	InChIKey=ZTEHOZMYMCEYRM-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	-31.3 °C	CAS Common Chemistry
Name	1-Chlorodecane	CAS Common Chemistry
Heavy Atom Count	11	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	8	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	4.365900000000004	RDKit
	4.3659	RDKit
	4.71	chempirical lib
Molar Refractivity	53.33000000000005 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	176.133178352 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 = 176.73 g/mol; density = 0.870 g/mL. Edit any field — others recompute live.

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