Chemical Properties of Octane, 4-ethyl- (CAS 15869-86-0)

InChI

InChI=1S/C10H22/c1-4-7-9-10(6-3)8-5-2/h10H,4-9H2,1-3H3

InChI Key

NRJUFUBKIFIKFI-UHFFFAOYSA-N

Formula

C10H22

SMILES

CCCCC(CC)CCC

Molecular Weight¹

142.28

CAS

15869-86-0

Other Names

• 4-Ethyloctane

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• NFPA Fire : NFPA Fire Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.4430		KDB
ΔfG°	30.88	kJ/mol	Joback Calculated Property
Δc,grossH	6778.33	kJ/mol	KDB
Δc,netH	6294.201	kJ/mol	KDB
ΔfH°gas	-255.01	kJ/mol	Joback Calculated Property
ΔfusH°	18.13	kJ/mol	Joback Calculated Property
ΔvapH°	48.10	kJ/mol	NIST
log10WS	-3.77		Crippen Calculated Property
logPoct/wat	4.003		Crippen Calculated Property
McVol	151.760	ml/mol	McGowan Calculated Property
NFPA Fire	2		KDB
Pc	2180.00	kPa	KDB
Inp	[950.90; 966.20]
Inp	952.00		NIST
Inp	956.10		NIST
Inp	956.20		NIST
Inp	952.00		NIST
Inp	951.50		NIST
Inp	950.90		NIST
Inp	951.00		NIST
Inp	952.00		NIST
Inp	952.00		NIST
Inp	954.00		NIST
Inp	954.00		NIST
Inp	Outlier 966.20		NIST
Inp	961.00		NIST
Inp	956.10		NIST
Inp	954.00		NIST
Inp	961.00		NIST
Inp	958.00		NIST
Inp	952.00		NIST
Inp	952.00		NIST
Inp	952.00		NIST
Inp	952.00		NIST
Inp	956.10		NIST
Inp	958.00		NIST
I	[952.00; 952.00]
I	952.00		NIST
I	952.00		NIST
Tboil	[436.51; 436.80]	K
Tboil	436.80	K	KDB
Tboil	436.51 ± 0.20	K	NIST
Tc	609.60	K	KDB
Tfus	185.00	K	KDB
Vc	0.552	m3/kmol	KDB
Zc	0.2374180		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[315.29; 399.91]	J/mol×K	[427.76; 593.73]
Cp,gas	315.29	J/mol×K	427.76	Joback Calculated Property
Cp,gas	330.79	J/mol×K	455.42	Joback Calculated Property
Cp,gas	345.71	J/mol×K	483.08	Joback Calculated Property
Cp,gas	360.07	J/mol×K	510.75	Joback Calculated Property
Cp,gas	373.88	J/mol×K	538.41	Joback Calculated Property
Cp,gas	387.16	J/mol×K	566.07	Joback Calculated Property
Cp,gas	399.91	J/mol×K	593.73	Joback Calculated Property
η	[0.0002265; 0.0108083]	Pa×s	[187.46; 427.76]
η	0.0108083	Pa×s	187.46	Joback Calculated Property
η	0.0032190	Pa×s	227.51	Joback Calculated Property
η	0.0013777	Pa×s	267.56	Joback Calculated Property
η	0.0007355	Pa×s	307.61	Joback Calculated Property
η	0.0004537	Pa×s	347.66	Joback Calculated Property
η	0.0003093	Pa×s	387.71	Joback Calculated Property
η	0.0002265	Pa×s	427.76	Joback Calculated Property
ΔvapH	38.28	kJ/mol	436.80	KDB
n0	1.41310		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[320.91; 465.62]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43819e+01
Coefficient B			-3.68234e+03
Coefficient C			-5.96500e+01
Temperature range, min.			320.91
Temperature range, max.			465.62
Pvap	1.33	kPa	320.91	Calculated Property
Pvap	3.02	kPa	336.99	Calculated Property
Pvap	6.25	kPa	353.07	Calculated Property
Pvap	11.99	kPa	369.15	Calculated Property
Pvap	21.58	kPa	385.23	Calculated Property
Pvap	36.74	kPa	401.30	Calculated Property
Pvap	59.64	kPa	417.38	Calculated Property
Pvap	92.87	kPa	433.46	Calculated Property
Pvap	139.41	kPa	449.54	Calculated Property
Pvap	202.65	kPa	465.62	Calculated Property
Pvap	[1.35; 2183.77]	kPa	[321.15; 609.60]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.08465e+02
Coefficient B			-9.48733e+03
Coefficient C			-1.37699e+01
Coefficient D			8.31899e-06
Temperature range, min.			321.15
Temperature range, max.			609.60
Pvap	1.35	kPa	321.15	Calculated Property
Pvap	6.38	kPa	353.20	Calculated Property
Pvap	21.93	kPa	385.25	Calculated Property
Pvap	59.92	kPa	417.30	Calculated Property
Pvap	137.92	kPa	449.35	Calculated Property
Pvap	279.17	kPa	481.40	Calculated Property
Pvap	512.72	kPa	513.45	Calculated Property
Pvap	874.73	kPa	545.50	Calculated Property
Pvap	1411.38	kPa	577.55	Calculated Property
Pvap	2183.77	kPa	609.60	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 4-ethyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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