Chemical Properties of Octane, 2,3-dimethyl- (CAS 7146-60-3)

InChI

InChI=1S/C10H22/c1-5-6-7-8-10(4)9(2)3/h9-10H,5-8H2,1-4H3

InChI Key

YPMNDMUOGQJCLW-UHFFFAOYSA-N

Formula

C10H22

SMILES

CCCCCC(C)C(C)C

Molecular Weight¹

142.28

CAS

7146-60-3

Other Names

• 2,3-Dimethyloctane

• 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).
• 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	0.4240		KDB
AP	348.150	K	KDB
ΔfG°	28.44	kJ/mol	Joback Calculated Property
Δc,grossH	6773.48	kJ/mol	KDB
Δc,netH	6289.389	kJ/mol	KDB
ΔfH°gas	-260.29	kJ/mol	Joback Calculated Property
ΔfusH°	14.61	kJ/mol	Joback Calculated Property
ΔvapH°	48.10	kJ/mol	NIST
log10WS	-3.52		Crippen Calculated Property
logPoct/wat	3.859		Crippen Calculated Property
McVol	151.760	ml/mol	McGowan Calculated Property
Pc	2190.00	kPa	KDB
Inp	[921.00; 961.90]
Inp	952.00		NIST
Inp	954.00		NIST
Inp	957.00		NIST
Inp	959.00		NIST
Inp	954.60		NIST
Inp	954.60		NIST
Inp	955.30		NIST
Inp	952.10		NIST
Inp	951.80		NIST
Inp	952.00		NIST
Inp	953.00		NIST
Inp	953.00		NIST
Inp	961.90		NIST
Inp	951.00		NIST
Inp	957.30		NIST
Inp	953.90		NIST
Inp	958.80		NIST
Inp	955.00		NIST
Inp	957.00		NIST
Inp	954.65		NIST
Inp	955.54		NIST
Inp	955.88		NIST
Inp	954.40		NIST
Inp	955.21		NIST
Inp	955.61		NIST
Inp	953.00		NIST
Inp	Outlier 921.00		NIST
Inp	959.00		NIST
Inp	953.00		NIST
Inp	952.00		NIST
Inp	952.00		NIST
Inp	954.00		NIST
Inp	953.00		NIST
Tboil	[436.90; 437.80]	K
Tboil	437.50	K	KDB
Tboil	437.46 ± 0.15	K	NIST
Tboil	437.80 ± 0.50	K	NIST
Tboil	436.90 ± 0.50	K	NIST
Tc	613.20	K	KDB
Tfus	219.00	K	KDB
Vc	0.567	m3/kmol	KDB
Zc	0.2435500		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[315.26; 401.95]	J/mol×K	[427.32; 596.92]
Cp,gas	315.26	J/mol×K	427.32	Joback Calculated Property
Cp,gas	331.18	J/mol×K	455.59	Joback Calculated Property
Cp,gas	346.50	J/mol×K	483.85	Joback Calculated Property
Cp,gas	361.21	J/mol×K	512.12	Joback Calculated Property
Cp,gas	375.35	J/mol×K	540.39	Joback Calculated Property
Cp,gas	388.93	J/mol×K	568.65	Joback Calculated Property
Cp,gas	401.95	J/mol×K	596.92	Joback Calculated Property
η	[0.0002171; 0.0214146]	Pa×s	[172.46; 427.32]
η	0.0214146	Pa×s	172.46	Joback Calculated Property
η	0.0046771	Pa×s	214.94	Joback Calculated Property
η	0.0016877	Pa×s	257.41	Joback Calculated Property
η	0.0008129	Pa×s	299.89	Joback Calculated Property
η	0.0004693	Pa×s	342.37	Joback Calculated Property
η	0.0003059	Pa×s	384.84	Joback Calculated Property
η	0.0002171	Pa×s	427.32	Joback Calculated Property
ΔvapH	38.20	kJ/mol	437.50	KDB
n0	1.41270		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[321.21; 466.55]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42414e+01
Coefficient B			-3.60471e+03
Coefficient C			-6.28790e+01
Temperature range, min.			321.21
Temperature range, max.			466.55
Pvap	1.33	kPa	321.21	Calculated Property
Pvap	3.03	kPa	337.36	Calculated Property
Pvap	6.29	kPa	353.51	Calculated Property
Pvap	12.08	kPa	369.66	Calculated Property
Pvap	21.73	kPa	385.81	Calculated Property
Pvap	36.98	kPa	401.95	Calculated Property
Pvap	59.96	kPa	418.10	Calculated Property
Pvap	93.22	kPa	434.25	Calculated Property
Pvap	139.69	kPa	450.40	Calculated Property
Pvap	202.67	kPa	466.55	Calculated Property
Pvap	[1.33; 2199.24]	kPa	[321.15; 613.20]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.04960e+02
Coefficient B			-9.35083e+03
Coefficient C			-1.32274e+01
Coefficient D			7.68034e-06
Temperature range, min.			321.15
Temperature range, max.			613.20
Pvap	1.33	kPa	321.15	Calculated Property
Pvap	6.39	kPa	353.60	Calculated Property
Pvap	22.21	kPa	386.05	Calculated Property
Pvap	61.05	kPa	418.50	Calculated Property
Pvap	140.95	kPa	450.95	Calculated Property
Pvap	285.47	kPa	483.40	Calculated Property
Pvap	523.53	kPa	515.85	Calculated Property
Pvap	890.39	kPa	548.30	Calculated Property
Pvap	1429.99	kPa	580.75	Calculated Property
Pvap	2199.24	kPa	613.20	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 2,3-dimethyl-.

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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