Chemical Properties of Octane (CAS 111-65-9)

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InChI

InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3

InChI Key

TVMXDCGIABBOFY-UHFFFAOYSA-N

Formula

C8H18

SMILES

CCCCCCCC

Molecular Weight¹

114.23

CAS

111-65-9

Other Names

• Oktan
• Oktanen
• Ottani
• UN 1262
• n-C8H18
• n-Octane

Sources

• Joback Method
• NIST Webbook
• Crippen Method

• Δ_cH°_liquid: Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas: Ideal gas heat capacity (J/mol×K).
• C_p,liquid: Liquid phase heat capacity (J/mol×K).
• η: Dynamic viscosity (Pa×s).
• Δ_fG°: Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas: Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid: Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH°: Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH: Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_subH: Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH°: Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH: Enthalpy of vaporization at a given temperature (kJ/mol).
• IE: Ionization energy (eV).
• logP_oct/wat: Octanol/Water partition coefficient.
• P_c: Critical Pressure (kPa).
• Δ_fusS: Entropy of fusion at a given temperature (J/mol×K).
• S°_gas: Molar entropy at standard conditions (J/mol×K).
• S°_liquid: Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil: Normal Boiling Point Temperature (K).
• T_c: Critical Temperature (K).
• T_fus: Normal melting (fusion) point (K).
• T_triple: Triple Point Temperature (K).
• V_c: Critical Volume (m³/kg-mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-5471.80; -5270.40]	kJ/mol
ΔcH°liquid	-5470.30 ± 1.60	kJ/mol	NIST
ΔcH°liquid	-5470.71 ± 0.67	kJ/mol	NIST
ΔcH°liquid	-5466.60	kJ/mol	NIST
ΔcH°liquid	-5471.80 ± 5.40	kJ/mol	NIST
ΔcH°liquid	-5441.30	kJ/mol	NIST
ΔcH°liquid	Outlier -5270.40	kJ/mol	NIST
ΔfG°	16.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-208.70	kJ/mol	NIST
ΔfH°gas	-208.40 ± 0.67	kJ/mol	NIST
ΔfH°liquid	-250.30 ± 1.80	kJ/mol	NIST
ΔfH°liquid	-250.00 ± 0.84	kJ/mol	NIST
ΔfusH°	16.48	kJ/mol	Joback Calculated Property
ΔvapH°	[34.00; 41.60]	kJ/mol
ΔvapH°	41.53	kJ/mol	NIST
ΔvapH°	41.60	kJ/mol	NIST
ΔvapH°	41.50 ± 0.10	kJ/mol	NIST
ΔvapH°	41.50 ± 0.10	kJ/mol	NIST
ΔvapH°	41.50	kJ/mol	NIST
ΔvapH°	41.60 ± 0.08	kJ/mol	NIST
ΔvapH°	41.60 ± 0.08	kJ/mol	NIST
ΔvapH°	41.50 ± 0.10	kJ/mol	NIST
ΔvapH°	41.48	kJ/mol	NIST
ΔvapH°	Outlier 34.00	kJ/mol	NIST
IE	[9.71; 10.25]	eV
IE	9.80 ± 0.15	eV	NIST
IE	10.01	eV	NIST
IE	9.80 ± 0.10	eV	NIST
IE	9.71 ± 0.15	eV	NIST
IE	9.79	eV	NIST
IE	10.25	eV	NIST
logPoct/wat	3.367		Crippen Calculated Property
Pc	[2470.00; 2497.12]	kPa
Pc	2490.00 ± 30.00	kPa	NIST
Pc	2495.00 ± 20.00	kPa	NIST
Pc	2487.00	kPa	NIST
Pc	2480.00 ± 5.00	kPa	NIST
Pc	2490.00 ± 30.00	kPa	NIST
Pc	2486.93 ± 17.23	kPa	NIST
Pc	2486.20 ± 40.53	kPa	NIST
Pc	2488.00 ± 40.53	kPa	NIST
Pc	2492.59 ± 50.66	kPa	NIST
Pc	2497.10 ± 20.00	kPa	NIST
Pc	2497.12 ± 19.99	kPa	NIST
Pc	Outlier 2470.00 ± 98.07	kPa	NIST
S°gas	467.06 ± 0.92	J/mol×K	NIST
S°liquid	361.20	J/mol×K	NIST
S°liquid	359.80	J/mol×K	NIST
S°liquid	359.80	J/mol×K	NIST
Tboil	[393.15; 401.65]	K
Tboil	398.80 ± 0.20	K	NIST
Tboil	398.80 ± 0.20	K	NIST
Tboil	398.90	K	NIST
Tboil	398.73 ± 0.10	K	NIST
Tboil	398.80	K	NIST
Tboil	398.76 ± 0.20	K	NIST
Tboil	398.96 ± 0.20	K	NIST
Tboil	398.96 ± 0.50	K	NIST
Tboil	398.93 ± 0.08	K	NIST
Tboil	398.70 ± 0.50	K	NIST
Tboil	398.75 ± 0.15	K	NIST
Tboil	398.55 ± 0.20	K	NIST
Tboil	398.12 ± 0.20	K	NIST
Tboil	398.77 ± 0.10	K	NIST
Tboil	398.95 ± 0.40	K	NIST
Tboil	398.76 ± 0.20	K	NIST
Tboil	398.75 ± 0.50	K	NIST
Tboil	398.55 ± 0.30	K	NIST
Tboil	398.77 ± 0.15	K	NIST
Tboil	398.27 ± 0.30	K	NIST
Tboil	399.00 ± 0.60	K	NIST
Tboil	398.40 ± 1.00	K	NIST
Tboil	398.85 ± 0.25	K	NIST
Tboil	398.82 ± 0.30	K	NIST
Tboil	399.15 ± 1.50	K	NIST
Tboil	397.80 ± 0.30	K	NIST
Tboil	Outlier 396.40 ± 2.00	K	NIST
Tboil	398.85 ± 0.40	K	NIST
Tboil	399.09 ± 0.30	K	NIST
Tboil	398.75 ± 0.10	K	NIST
Tboil	398.81 ± 0.44	K	NIST
Tboil	398.55 ± 0.30	K	NIST
Tboil	398.71 ± 0.20	K	NIST
Tboil	398.80 ± 0.40	K	NIST
Tboil	398.95 ± 0.50	K	NIST
Tboil	Outlier 393.15 ± 3.00	K	NIST
Tboil	398.81 ± 0.10	K	NIST
Tboil	398.90 ± 0.20	K	NIST
Tboil	398.25 ± 0.30	K	NIST
Tboil	398.62 ± 0.30	K	NIST
Tboil	397.85 ± 0.30	K	NIST
Tboil	397.20 ± 2.00	K	NIST
Tboil	398.75 ± 0.30	K	NIST
Tboil	398.80 ± 0.40	K	NIST
Tboil	398.85 ± 0.50	K	NIST
Tboil	397.35 ± 0.50	K	NIST
Tboil	398.75 ± 0.30	K	NIST
Tboil	398.90 ± 0.30	K	NIST
Tboil	398.75 ± 0.40	K	NIST
Tboil	398.81 ± 0.01	K	NIST
Tboil	397.65 ± 0.50	K	NIST
Tboil	397.40 ± 1.00	K	NIST
Tboil	398.15 ± 2.00	K	NIST
Tboil	398.70 ± 0.20	K	NIST
Tboil	398.95 ± 0.50	K	NIST
Tboil	398.90 ± 0.20	K	NIST
Tboil	398.75 ± 0.30	K	NIST
Tboil	398.81 ± 0.10	K	NIST
Tboil	398.80 ± 0.30	K	NIST
Tboil	397.15 ± 1.00	K	NIST
Tboil	398.75 ± 0.20	K	NIST
Tboil	Outlier 401.65 ± 0.50	K	NIST
Tboil	398.75 ± 0.30	K	NIST
Tboil	398.90 ± 0.20	K	NIST
Tboil	398.81 ± 0.20	K	NIST
Tboil	398.95 ± 0.20	K	NIST
Tboil	398.80 ± 0.05	K	NIST
Tboil	398.55 ± 0.50	K	NIST
Tboil	398.15 ± 0.60	K	NIST
Tboil	Outlier 396.00 ± 2.00	K	NIST
Tboil	398.55 ± 0.50	K	NIST
Tboil	398.75 ± 0.50	K	NIST
Tboil	398.74 ± 0.10	K	NIST
Tboil	398.35 ± 0.30	K	NIST
Tboil	398.55 ± 0.50	K	NIST
Tboil	398.74 ± 0.15	K	NIST
Tboil	397.75 ± 0.50	K	NIST
Tboil	398.95 ± 0.20	K	NIST
Tboil	398.15 ± 1.00	K	NIST
Tboil	397.65 ± 0.30	K	NIST
Tboil	399.00 ± 0.70	K	NIST
Tboil	399.00 ± 1.00	K	NIST
Tboil	398.15 ± 1.00	K	NIST
Tboil	398.95 ± 0.30	K	NIST
Tboil	398.15 ± 2.00	K	NIST
Tboil	398.95 ± 0.30	K	NIST
Tboil	398.64 ± 0.10	K	NIST
Tboil	398.45 ± 0.50	K	NIST
Tboil	Outlier 396.70 ± 1.50	K	NIST
Tc	[568.50; 569.60]	K
Tc	568.70 ± 0.30	K	NIST
Tc	568.50 ± 1.00	K	NIST
Tc	568.60 ± 0.30	K	NIST
Tc	568.65 ± 0.20	K	NIST
Tc	568.80 ± 0.60	K	NIST
Tc	568.70	K	NIST
Tc	568.92 ± 0.10	K	NIST
Tc	568.60 ± 0.20	K	NIST
Tc	568.80	K	NIST
Tc	568.80 ± 0.70	K	NIST
Tc	568.80 ± 0.20	K	NIST
Tc	568.80 ± 0.40	K	NIST
Tc	569.00 ± 0.30	K	NIST
Tc	569.00 ± 0.40	K	NIST
Tc	568.80 ± 0.20	K	NIST
Tc	568.75 ± 0.30	K	NIST
Tc	568.74 ± 0.40	K	NIST
Tc	568.77 ± 0.40	K	NIST
Tc	568.56 ± 0.20	K	NIST
Tc	569.15 ± 0.60	K	NIST
Tc	569.40 ± 1.00	K	NIST
Tc	569.35 ± 0.50	K	NIST
Tc	Outlier 569.60 ± 1.00	K	NIST
Tfus	[215.85; 227.31]	K
Tfus	216.32 ± 0.10	K	NIST
Tfus	216.36 ± 0.20	K	NIST
Tfus	216.35 ± 0.15	K	NIST
Tfus	216.34 ± 0.02	K	NIST
Tfus	216.35 ± 0.15	K	NIST
Tfus	216.35 ± 0.10	K	NIST
Tfus	216.34 ± 0.15	K	NIST
Tfus	216.35 ± 0.10	K	NIST
Tfus	216.35 ± 0.15	K	NIST
Tfus	216.35 ± 0.10	K	NIST
Tfus	216.36 ± 0.19	K	NIST
Tfus	216.28 ± 0.03	K	NIST
Tfus	216.34 ± 0.15	K	NIST
Tfus	216.34 ± 0.10	K	NIST
Tfus	216.30 ± 0.20	K	NIST
Tfus	216.35 ± 0.20	K	NIST
Tfus	216.26 ± 0.08	K	NIST
Tfus	216.15 ± 0.30	K	NIST
Tfus	216.59 ± 0.20	K	NIST
Tfus	215.85 ± 0.30	K	NIST
Tfus	216.59 ± 0.20	K	NIST
Tfus	216.34 ± 0.01	K	NIST
Tfus	216.34 ± 0.02	K	NIST
Tfus	216.34 ± 0.02	K	NIST
Tfus	216.35 ± 0.01	K	NIST
Tfus	215.90 ± 0.40	K	NIST
Tfus	Outlier 227.31 ± 0.20	K	NIST
Tfus	216.00 ± 2.00	K	NIST
Tfus	216.15 ± 1.50	K	NIST
Tfus	216.15 ± 0.50	K	NIST
Tfus	216.31 ± 0.05	K	NIST
Tfus	216.25 ± 0.30	K	NIST
Tfus	216.35 ± 0.40	K	NIST
Tfus	216.65 ± 0.30	K	NIST
Tfus	216.35 ± 0.20	K	NIST
Tfus	217.15 ± 2.00	K	NIST
Tfus	216.00 ± 2.00	K	NIST
Tfus	216.33 ± 0.10	K	NIST
Tfus	216.25 ± 0.50	K	NIST
Tfus	216.25 ± 0.08	K	NIST
Tfus	216.65 ± 0.30	K	NIST
Ttriple	[215.60; 216.37]	K
Ttriple	216.37 ± 0.40	K	NIST
Ttriple	216.37 ± 0.03	K	NIST
Ttriple	216.36 ± 0.20	K	NIST
Ttriple	216.37 ± 0.20	K	NIST
Ttriple	216.36 ± 0.05	K	NIST
Ttriple	216.37 ± 0.02	K	NIST
Ttriple	215.80 ± 0.20	K	NIST
Ttriple	215.85 ± 0.20	K	NIST
Ttriple	215.60 ± 0.25	K	NIST
Vc	0.492	m3/kg-mol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[232.74; 297.00]	J/mol×K	[385.65; 523.15]
Cp,gas	232.74 ± 0.47	J/mol×K	385.65	NIST
Cp,gas	238.95 ± 0.48	J/mol×K	398.15	NIST
Cp,gas	242.67	J/mol×K	405.7	NIST
Cp,gas	250.59 ± 0.50	J/mol×K	423.15	NIST
Cp,gas	263.02 ± 0.53	J/mol×K	448.15	NIST
Cp,gas	270.70	J/mol×K	462.5	NIST
Cp,gas	274.84 ± 0.55	J/mol×K	473.15	NIST
Cp,gas	285.98 ± 0.57	J/mol×K	498.15	NIST
Cp,gas	295.39	J/mol×K	522.7	NIST
Cp,gas	297.00 ± 0.59	J/mol×K	523.15	NIST
Cp,liquid	[247.70; 262.20]	J/mol×K	[293.70; 318.15]
Cp,liquid	247.70	J/mol×K	293.7	NIST
Cp,liquid	252.40	J/mol×K	297.54	NIST
Cp,liquid	252.40	J/mol×K	298.0	NIST
Cp,liquid	253.20	J/mol×K	298.0	NIST
Cp,liquid	255.68	J/mol×K	298.15	NIST
Cp,liquid	255.68	J/mol×K	298.15	NIST
Cp,liquid	255.68	J/mol×K	298.15	NIST
Cp,liquid	254.11	J/mol×K	298.15	NIST
Cp,liquid	255.68	J/mol×K	298.15	NIST
Cp,liquid	254.18	J/mol×K	298.15	NIST
Cp,liquid	253.72	J/mol×K	298.15	NIST
Cp,liquid	254.02	J/mol×K	298.15	NIST
Cp,liquid	254.07	J/mol×K	298.15	NIST
Cp,liquid	252.92	J/mol×K	298.15	NIST
Cp,liquid	254.14	J/mol×K	298.15	NIST
Cp,liquid	253.89	J/mol×K	298.15	NIST
Cp,liquid	251.50	J/mol×K	298.3	NIST
Cp,liquid	254.70	J/mol×K	299.0	NIST
Cp,liquid	253.93	J/mol×K	299.8	NIST
Cp,liquid	262.20	J/mol×K	318.15	NIST
η	0.0002448	Pa×s	382.44	Joback Calculated Property
ΔfusH	[20.09; 21.80]	kJ/mol	[215.60; 216.60]
ΔfusH	20.09	kJ/mol	215.6	NIST
ΔfusH	20.65	kJ/mol	215.8	NIST
ΔfusH	20.74	kJ/mol	216.38	NIST
ΔfusH	20.74	kJ/mol	216.4	NIST
ΔfusH	21.80	kJ/mol	216.6	NIST
ΔsubH	68.10	kJ/mol	216.0	NIST
ΔvapH	[34.41; 44.40]	kJ/mol	[247.00; 537.50]
ΔvapH	44.40	kJ/mol	247.0	NIST
ΔvapH	43.00	kJ/mol	257.0	NIST
ΔvapH	38.00 ± 0.10	kJ/mol	311.0	NIST
ΔvapH	40.50 ± 0.10	kJ/mol	313.0	NIST
ΔvapH	41.90	kJ/mol	315.5	NIST
ΔvapH	36.70 ± 0.10	kJ/mol	328.0	NIST
ΔvapH	39.10 ± 0.10	kJ/mol	333.0	NIST
ΔvapH	35.40 ± 0.10	kJ/mol	344.0	NIST
ΔvapH	41.00	kJ/mol	348.5	NIST
ΔvapH	41.20	kJ/mol	348.5	NIST
ΔvapH	37.80 ± 0.10	kJ/mol	353.0	NIST
ΔvapH	39.20	kJ/mol	363.0	NIST
ΔvapH	34.41	kJ/mol	398.8	NIST
ΔvapH	36.30	kJ/mol	414.0	NIST
ΔvapH	39.40	kJ/mol	443.0	NIST
ΔvapH	35.50	kJ/mol	469.0	NIST
ΔvapH	34.90	kJ/mol	537.5	NIST
ΔfusS	93.19	J/mol×K	215.6	NIST
ΔfusS	95.70	J/mol×K	215.8	NIST
ΔfusS	95.85	J/mol×K	216.38	NIST

Molecular Descriptors

Joback and Reid Groups
-CH2-	6
-CH3	2

Similar Compounds

Find more compounds similar to Octane.

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