Chemical Properties of Octane, 2,6-dimethyl- (CAS 2051-30-1)

InChI

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

InChI Key

ZALHPSXXQIPKTQ-UHFFFAOYSA-N

Formula

C10H22

SMILES

CCC(C)CCCC(C)C

Molecular Weight¹

142.28

CAS

2051-30-1

Other Names

• 2,6-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.
• 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	0.4530		KDB
AP	351.150	K	KDB
ΔfG°	28.44	kJ/mol	Joback Calculated Property
Δc,grossH	6769.80	kJ/mol	KDB
Δc,netH	6285.666	kJ/mol	KDB
ΔfH°gas	-260.29	kJ/mol	Joback Calculated Property
ΔfusH°	14.61	kJ/mol	Joback Calculated Property
ΔvapH°	49.30	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	2150.00	kPa	KDB
Inp	[927.00; 938.00]
Inp	932.00		NIST
Inp	934.90		NIST
Inp	934.90		NIST
Inp	931.50		NIST
Inp	930.80		NIST
Inp	932.00		NIST
Inp	932.00		NIST
Inp	932.00		NIST
Inp	935.12		NIST
Inp	934.00		NIST
Inp	930.75		NIST
Inp	937.00		NIST
Inp	933.30		NIST
Inp	Outlier 927.00		NIST
Inp	936.00		NIST
Inp	934.70		NIST
Inp	934.00		NIST
Inp	936.00		NIST
Inp	Outlier 928.00		NIST
Inp	933.00		NIST
Inp	937.00		NIST
Inp	937.00		NIST
Inp	935.00		NIST
Inp	931.00		NIST
Inp	938.00		NIST
Inp	932.00		NIST
Inp	932.00		NIST
Inp	931.00		NIST
Inp	933.00		NIST
Inp	932.00		NIST
Inp	938.00		NIST
Inp	932.00		NIST
Inp	933.30		NIST
Inp	936.00		NIST
Inp	935.00		NIST
Inp	930.75		NIST
Inp	935.12		NIST
I	[921.00; 921.00]
I	921.00		NIST
I	921.00		NIST
Tboil	[431.65; 433.50]	K
Tboil	433.50	K	KDB
Tboil	433.40 ± 1.50	K	NIST
Tboil	432.15 ± 1.50	K	NIST
Tboil	431.65 ± 0.70	K	NIST
Tboil	432.65 ± 0.60	K	NIST
Tboil	431.65 ± 2.00	K	NIST
Tboil	432.90 ± 1.50	K	NIST
Tboil	431.65 ± 2.00	K	NIST
Tc	603.10	K	KDB
Tfus	219.00	K	KDB
Vc	0.576	m3/kmol	KDB
Zc	0.2469650		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	433.50	KDB
n0	1.40840		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[318.22; 462.10]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44779e+01
Coefficient B			-3.72529e+03
Coefficient C			-5.56960e+01
Temperature range, min.			318.22
Temperature range, max.			462.10
Pvap	1.33	kPa	318.22	Calculated Property
Pvap	3.01	kPa	334.21	Calculated Property
Pvap	6.22	kPa	350.19	Calculated Property
Pvap	11.94	kPa	366.18	Calculated Property
Pvap	21.48	kPa	382.17	Calculated Property
Pvap	36.59	kPa	398.15	Calculated Property
Pvap	59.44	kPa	414.14	Calculated Property
Pvap	92.64	kPa	430.13	Calculated Property
Pvap	139.23	kPa	446.11	Calculated Property
Pvap	202.64	kPa	462.10	Calculated Property
Pvap	[1.33; 210.34]	kPa	[318.15; 462.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.17854e+02
Coefficient B			-9.84801e+03
Coefficient C			-1.52027e+01
Coefficient D			9.76863e-06
Temperature range, min.			318.15
Temperature range, max.			462.15
Pvap	1.33	kPa	318.15	Calculated Property
Pvap	3.07	kPa	334.15	Calculated Property
Pvap	6.44	kPa	350.15	Calculated Property
Pvap	12.49	kPa	366.15	Calculated Property
Pvap	22.59	kPa	382.15	Calculated Property
Pvap	38.54	kPa	398.15	Calculated Property
Pvap	62.50	kPa	414.15	Calculated Property
Pvap	97.07	kPa	430.15	Calculated Property
Pvap	145.21	kPa	446.15	Calculated Property
Pvap	210.34	kPa	462.15	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 2,6-dimethyl-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.