Octyl ether

C₁₆H₃₄OCAS 629-82-3242.45 g/mol

Properties

Molecular formula: C₁₆H₃₄O
Molar mass: 242.45 g/mol
Exact mass: 242.2610 Da
Density: 0.807 g/mL (at 15 °C)
Melting point: −7.6 °C
Boiling point: 283 °C
Flash point: 100 °C
logP: 5.72Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 14

Hazards

Not classified as hazardous under GHS by 173 ECHA notifiers. Aggregated from 173 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

629-82-3

SMILES

CCCCCCCCOCCCCCCCC

InChIKey

NKJOXAZJBOMXID-UHFFFAOYSA-N

InChI

InChI=1S/C16H34O/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 3.45 (t, J = 7.0 Hz, 4H), 1.60 (quint, J = 7.0 Hz, 4H), 1.27 (m, J = 7.0 Hz, 4H), 1.27 (m, J = 7.0 Hz, 4H), 1.27 (m, J = 7.0 Hz, 4H), 1.27 (m, J = 7.0 Hz, 4H), 1.27 (m, J = 7.0 Hz, 4H), 0.86 (t, J = 7.0 Hz, 6H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 70.2, 32.5, 31.0, 30.3, 30.0, 26.6, 23.1, 14.0.

[M + H]+

[M + H]+ Calcd for C16H35O 243.2682

[M + Na]+

[M + Na]+ Calcd for C16H34NaO 265.2502

[M − H]−

[M − H]− Calcd for C16H33O 241.2537

Elemental analysis

Anal. Calcd for C16H34O: C, 79.27; H, 14.14.