1-Chlorotetradecane

CAS: 2425-54-9 · C14H29Cl

2D Structure

Loading 3D structure...

CAS Registry Number

2425-54-9

SMILES

CCCCCCCCCCCCCCCl

InChI Key

RNHWYOLIEJIAMV-UHFFFAOYSA-N

InChI

InChI=1S/C14H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	232.84 g/mol	CAS Common Chemistry
	232.83899999999994 g/mol	RDKit
	232.839 g/mol	RDKit
	232.836 g/mol	chempirical lib
Density	0.83 g/cm³	CAS Common Chemistry
	0.8268 g/cm3 @ 20 °C	CAS Common Chemistry
Boiling Point	292 °C	CAS Common Chemistry
Canonical SMILES	ClCCCCCCCCCCCCCC	CAS Common Chemistry
InChI	InChI=1S/C14H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3	CAS Common Chemistry
InChI Key	InChIKey=RNHWYOLIEJIAMV-UHFFFAOYSA-N	CAS Common Chemistry
Melting Point	4.9 °C	CAS Common Chemistry
Name	1-Chlorotetradecane	CAS Common Chemistry
Heavy Atom Count	15	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	12	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	5.926300000000006	RDKit
	5.9263	RDKit
	6.27	chempirical lib
Molar Refractivity	71.79800000000006 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	1.0	RDKit
Exact Mass	232.19577860799998 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 = 232.84 g/mol; density = 0.830 g/mL. Edit any field — others recompute live.

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