Chemical Properties of Octane, 3-ethyl- (CAS 5881-17-4)

InChI

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

InChI Key

OEYGTUAKNZFCDJ-UHFFFAOYSA-N

Formula

C10H22

SMILES

CCCCCC(CC)CC

Molecular Weight¹

142.28

CAS

5881-17-4

Other Names

• 3-Ethyloctane

• ω : Acentric Factor.
• AP : Aniline Point (K).
• 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.
• 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	0.4460		KDB
AP	348.150	K	KDB
ΔfG°	30.88	kJ/mol	Joback Calculated Property
Δc,grossH	6773.98	kJ/mol	KDB
Δc,netH	6289.850	kJ/mol	KDB
ΔfH°gas	-255.01	kJ/mol	Joback Calculated Property
ΔfusH°	18.13	kJ/mol	Joback Calculated Property
ΔvapH°	49.00	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	2190.00	kPa	KDB
Inp	[951.00; 974.50]
Inp	964.00		NIST
Inp	967.90		NIST
Inp	968.00		NIST
Inp	970.00		NIST
Inp	964.00		NIST
Inp	964.70		NIST
Inp	965.00		NIST
Inp	964.00		NIST
Inp	966.00		NIST
Inp	968.00		NIST
Inp	964.00		NIST
Inp	966.00		NIST
Inp	965.00		NIST
Inp	967.00		NIST
Inp	968.00		NIST
Inp	Outlier 951.00		NIST
Inp	964.00		NIST
Inp	967.00		NIST
Inp	974.50		NIST
Inp	967.90		NIST
Inp	971.30		NIST
Inp	968.00		NIST
Inp	961.00		NIST
Inp	968.42		NIST
Inp	968.93		NIST
Inp	969.13		NIST
Inp	968.10		NIST
Inp	968.53		NIST
Inp	968.75		NIST
Inp	967.00		NIST
Inp	966.00		NIST
Inp	972.00		NIST
Inp	964.00		NIST
Inp	964.00		NIST
Inp	966.00		NIST
Inp	964.00		NIST
Inp	964.70		NIST
Inp	Outlier 951.00		NIST
Tboil	439.70	K	KDB
Tc	613.60	K	KDB
Tfus	185.00	K	KDB
Vc	0.561	m3/kmol	KDB
Zc	0.2408160		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	38.70	kJ/mol	439.70	KDB
n0	1.41360		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[323.38; 468.59]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43717e+01
Coefficient B			-3.68827e+03
Coefficient C			-6.15080e+01
Temperature range, min.			323.38
Temperature range, max.			468.59
Pvap	1.33	kPa	323.38	Calculated Property
Pvap	3.02	kPa	339.51	Calculated Property
Pvap	6.25	kPa	355.65	Calculated Property
Pvap	12.00	kPa	371.78	Calculated Property
Pvap	21.59	kPa	387.92	Calculated Property
Pvap	36.76	kPa	404.05	Calculated Property
Pvap	59.67	kPa	420.19	Calculated Property
Pvap	92.89	kPa	436.32	Calculated Property
Pvap	139.43	kPa	452.46	Calculated Property
Pvap	202.65	kPa	468.59	Calculated Property
Pvap	[1.32; 2191.13]	kPa	[323.15; 613.60]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.09681e+02
Coefficient B			-9.63118e+03
Coefficient C			-1.39251e+01
Coefficient D			8.22575e-06
Temperature range, min.			323.15
Temperature range, max.			613.60
Pvap	1.32	kPa	323.15	Calculated Property
Pvap	6.27	kPa	355.42	Calculated Property
Pvap	21.73	kPa	387.69	Calculated Property
Pvap	59.67	kPa	419.97	Calculated Property
Pvap	137.82	kPa	452.24	Calculated Property
Pvap	279.59	kPa	484.51	Calculated Property
Pvap	514.17	kPa	516.78	Calculated Property
Pvap	877.78	kPa	549.06	Calculated Property
Pvap	1416.50	kPa	581.33	Calculated Property
Pvap	2191.13	kPa	613.60	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 3-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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