OCTANE - (111-65-9)

Introduction

Name: octane; n-octane
* IUPAC
CAS Number: 111-65-9
Chemical Formula: C8H18 or CH3(CH2)6CH3
Molar Mass: 114.22852 g
State of Matter: colorless liquid
Mass Percent: C 84.116 %; H 15.883 % 
Isomers:  isooctane  •  3-methylheptane  •  2,5-dimethylhexane  •  2-methylheptane  •  2,2,3,3-tetramethylbutane

Classification

• organic • alkane

Physical Properties

Melting Point:*
-58.8°C 1 = 214.35 K = -73.84°F
Boiling Point:*
125.6°C 1 = 398.75 K = 258.08°F
125°C 2 = 398.15 K = 257°F
125°C 3 = 398.15 K = 257°F
Density (g/cm3):
0.6986 at 25°C 1
* - 1 atm pressure

Solubility

Qualitative:
insoluble:  3
soluble:  • • 3

Bonding

Double Bonds: 0
Triple Bonds: 0
Sigma Bonds: 25
Pi Bonds: 0
Total: 25
Carboxyl Groups: 0
Hydroxyl Groups: 0
Hybridization: all carbons are sp3
Bonding: polar covalent
Ionic Character: 10.61 %

Thermochemistry

ΔHf° (ℓ): -59.74 kcal/mol 4 = -249.95 kJ/mol
ΔHf° (g): -49.82 kcal/mol 4 = -208.45 kJ/mol
S° (ℓ): 85.50 cal/(mol•K) 5 = 357.73 J/(mol•K)
S° (g): 111.55 cal/(mol•K) 5 = 466.73 J/(mol•K)
ΔGf° (ℓ): 1.77 kcal/mol 6 = 7.41 kJ/mol
ΔGf° (g): 3.92 kcal/mol 6 = 16.40 kJ/mol
The heat of combustion is the amount of heat released when one mole of a substance undergoes combustion according to the general reaction equation:
CxHyOz + 0.25(4x+y-2z) O2 (g) → x CO2 (g) + 0.5y H2O (ℓ)

ΔHcomb° (ℓ): -1307.495 kcal = -5470.59784 kJ
ΔHcomb° (g): -1317.415 kcal = -5512.10312 kJ

Reactions

For More Information

Sources

(1) - Lide, David R. CRC Handbook of Chemistry and Physics, 83rd ed.; CRC Press: Boca Raton, FL, 2002; p 3-230.
(2) - Estok, George K. Organic Chemistry: A Short Text; W.B. Saunders: Philadelphia, 1959; p 29.
(3) - Shriner, Ralph L., Fuson, Reynold C., and Curtin, David Y. The Systematic Identification of Organic Compounds, 4th ed.; John Wiley & Sons: New York, 1962; p 314.
(4) - Dean, John A. Lange's Handbook of Chemistry, 12th ed.; McGraw-Hill Book Company: New York, NY, 1979; p 9:86.
(5) - Dean, John A. Lange's Handbook of Chemistry, 12th ed.; McGraw-Hill Book Company: New York, NY, 1979; p 9:86.
(6) - Dean, John A. Lange's Handbook of Chemistry, 12th ed.; McGraw-Hill Book Company: New York, NY, 1979; p 9:86.
(7) - Kotz, John C. and Treichel, Paul. Chemistry & Chemical Reactivity 4th ed.; Thomson Brooks/Cole: Belmont, CA, 1999; p 151.
(8) - Jolly, William L. The Chemistry of the Non-Metals; Prentice-Hall: Englewood Cliffs, New Jersey, 1966; p 4.