Chemical Properties of Octane, 2,7-dimethyl- (CAS 1072-16-8)

InChI

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

InChI Key

KEVMYFLMMDUPJE-UHFFFAOYSA-N

Formula

C10H22

SMILES

CC(C)CCCCC(C)C

Molecular Weight¹

142.28

CAS

1072-16-8

Other Names

• 2,7-Dimethyloctane
• Diisoamyl
• Diisopentyl

• ω : Acentric Factor.
• AP : Aniline Point (K).
• 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_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	0.4380		KDB
AP	352.150	K	KDB
ΔcH°liquid	-6747.11	kJ/mol	NIST
ΔfG°	28.44	kJ/mol	Joback Calculated Property
Δc,grossH	6767.62	kJ/mol	KDB
Δc,netH	6283.490	kJ/mol	KDB
ΔfH°gas	-260.29	kJ/mol	Joback Calculated Property
ΔfusH°	14.61	kJ/mol	Joback Calculated Property
ΔvapH°	47.70	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	2100.00	kPa	KDB
Inp	[927.80; 931.00]
Inp	928.00		NIST
Inp	930.40		NIST
Inp	930.40		NIST
Inp	928.00		NIST
Inp	928.50		NIST
Inp	927.80		NIST
Inp	928.00		NIST
Inp	929.00		NIST
Inp	929.00		NIST
Inp	Outlier 931.00		NIST
Inp	929.00		NIST
Inp	928.00		NIST
Inp	929.00		NIST
Inp	929.00		NIST
Inp	929.00		NIST
Tboil	433.00	K	KDB
Tc	602.90	K	KDB
Tfus	219.00	K	KDB
Vc	0.590	m3/kmol	KDB
Zc	0.2471660		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
Cp,liquid	301.70	J/mol×K	295.00	NIST
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	[38.24; 45.20]	kJ/mol	[356.00; 433.00]
ΔvapH	45.20	kJ/mol	356.00	NIST
ΔvapH	38.24	kJ/mol	433.00	KDB
n0	1.40620		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[319.46; 461.56]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41298e+01
Coefficient B			-3.45264e+03
Coefficient C			-7.00330e+01
Temperature range, min.			319.46
Temperature range, max.			461.56
Pvap	1.33	kPa	319.46	Calculated Property
Pvap	3.04	kPa	335.25	Calculated Property
Pvap	6.32	kPa	351.04	Calculated Property
Pvap	12.14	kPa	366.83	Calculated Property
Pvap	21.85	kPa	382.62	Calculated Property
Pvap	37.17	kPa	398.40	Calculated Property
Pvap	60.20	kPa	414.19	Calculated Property
Pvap	93.48	kPa	429.98	Calculated Property
Pvap	139.89	kPa	445.77	Calculated Property
Pvap	202.64	kPa	461.56	Calculated Property
Pvap	[1.34; 2095.52]	kPa	[319.15; 602.90]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.08460e+02
Coefficient B			-9.52017e+03
Coefficient C			-1.37254e+01
Coefficient D			7.82701e-06
Temperature range, min.			319.15
Temperature range, max.			602.90
Pvap	1.34	kPa	319.15	Calculated Property
Pvap	6.33	kPa	350.68	Calculated Property
Pvap	21.84	kPa	382.21	Calculated Property
Pvap	59.77	kPa	413.73	Calculated Property
Pvap	137.53	kPa	445.26	Calculated Property
Pvap	277.61	kPa	476.79	Calculated Property
Pvap	507.20	kPa	508.32	Calculated Property
Pvap	858.70	kPa	539.84	Calculated Property
Pvap	1371.51	kPa	571.37	Calculated Property
Pvap	2095.52	kPa	602.90	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 2,7-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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