Chemical Properties of Octane, 2,2-dimethyl- (CAS 15869-87-1)

InChI

InChI=1S/C10H22/c1-5-6-7-8-9-10(2,3)4/h5-9H2,1-4H3

InChI Key

GPBUTTSWJNPYJL-UHFFFAOYSA-N

Formula

C10H22

SMILES

CCCCCCC(C)(C)C

Molecular Weight¹

142.28

CAS

15869-87-1

Other Names

• 2,2-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	0.4170		KDB
AP	354.150	K	KDB
ΔfG°	36.16	kJ/mol	Joback Calculated Property
Δc,grossH	6764.11	kJ/mol	KDB
Δc,netH	6279.975	kJ/mol	KDB
ΔfH°gas	-258.48	kJ/mol	Joback Calculated Property
ΔfusH°	14.24	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
Pc	2130.00	kPa	KDB
Inp	[906.00; 924.00]
Inp	915.00		NIST
Inp	Outlier 906.00		NIST
Inp	Outlier 909.00		NIST
Inp	912.00		NIST
Inp	918.70		NIST
Inp	918.70		NIST
Inp	912.00		NIST
Inp	918.00		NIST
Inp	918.10		NIST
Inp	914.90		NIST
Inp	920.00		NIST
Inp	915.00		NIST
Inp	916.00		NIST
Inp	918.00		NIST
Inp	922.80		NIST
Inp	919.00		NIST
Inp	920.00		NIST
Inp	917.60		NIST
Inp	920.30		NIST
Inp	919.00		NIST
Inp	919.00		NIST
Inp	918.00		NIST
Inp	916.00		NIST
Inp	924.00		NIST
Inp	920.00		NIST
Inp	920.00		NIST
Inp	921.00		NIST
Inp	Outlier 908.00		NIST
Inp	918.00		NIST
Inp	917.00		NIST
Inp	915.00		NIST
Inp	915.00		NIST
Inp	922.80		NIST
Inp	918.00		NIST
Inp	920.00		NIST
Tboil	430.10	K	KDB
Tc	602.00	K	KDB
Tfus	219.00	K	KDB
Vc	0.580	m3/kmol	KDB
Zc	0.2468170		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[316.97; 405.72]	J/mol×K	[424.97; 597.50]
Cp,gas	316.97	J/mol×K	424.97	Joback Calculated Property
Cp,gas	333.53	J/mol×K	453.73	Joback Calculated Property
Cp,gas	349.34	J/mol×K	482.48	Joback Calculated Property
Cp,gas	364.44	J/mol×K	511.24	Joback Calculated Property
Cp,gas	378.86	J/mol×K	539.99	Joback Calculated Property
Cp,gas	392.61	J/mol×K	568.75	Joback Calculated Property
Cp,gas	405.72	J/mol×K	597.50	Joback Calculated Property
η	[0.0002495; 0.0108562]	Pa×s	[204.88; 424.97]
η	0.0108562	Pa×s	204.88	Joback Calculated Property
η	0.0035911	Pa×s	241.56	Joback Calculated Property
η	0.0015903	Pa×s	278.24	Joback Calculated Property
η	0.0008514	Pa×s	314.92	Joback Calculated Property
η	0.0005192	Pa×s	351.61	Joback Calculated Property
η	0.0003477	Pa×s	388.29	Joback Calculated Property
η	0.0002495	Pa×s	424.97	Joback Calculated Property
ΔvapH	37.70	kJ/mol	430.10	KDB
n0	1.40600		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[314.18; 458.85]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.43929e+01
Coefficient B			-3.68888e+03
Coefficient C			-5.26550e+01
Temperature range, min.			314.18
Temperature range, max.			458.85
Pvap	1.33	kPa	314.18	Calculated Property
Pvap	3.02	kPa	330.25	Calculated Property
Pvap	6.24	kPa	346.33	Calculated Property
Pvap	11.98	kPa	362.40	Calculated Property
Pvap	21.57	kPa	378.48	Calculated Property
Pvap	36.73	kPa	394.55	Calculated Property
Pvap	59.62	kPa	410.63	Calculated Property
Pvap	92.83	kPa	426.70	Calculated Property
Pvap	139.37	kPa	442.78	Calculated Property
Pvap	202.63	kPa	458.85	Calculated Property
Pvap	[8.91e-04; 2126.95]	kPa	[225.00; 602.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.24663e+01
Coefficient B			-7.79653e+03
Coefficient C			-8.31381e+00
Coefficient D			3.74626e-06
Temperature range, min.			225.00
Temperature range, max.			602.00
Pvap	8.91e-04	kPa	225.00	Calculated Property
Pvap	0.05	kPa	266.89	Calculated Property
Pvap	0.92	kPa	308.78	Calculated Property
Pvap	7.21	kPa	350.67	Calculated Property
Pvap	34.02	kPa	392.56	Calculated Property
Pvap	113.16	kPa	434.44	Calculated Property
Pvap	294.31	kPa	476.33	Calculated Property
Pvap	640.98	kPa	518.22	Calculated Property
Pvap	1225.52	kPa	560.11	Calculated Property
Pvap	2126.95	kPa	602.00	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 2,2-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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