Chemical Properties of Hexane, 3,4-dimethyl- (CAS 583-48-2)

InChI

InChI=1S/C8H18/c1-5-7(3)8(4)6-2/h7-8H,5-6H2,1-4H3

InChI Key

RNTWWGNZUXGTAX-UHFFFAOYSA-N

Formula

C8H18

SMILES

CCC(C)C(C)CC

Molecular Weight¹

114.23

CAS

583-48-2

Other Names

• 3,4-Dimethylhexane
• C2H5CH(CH3)CH(CH3)C2H5

• 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).
• 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_fH°_liquid : Liquid phase 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.
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• γ : Surface Tension (N/m).
• 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	0.3380		KDB
AP	341.150	K	KDB
ΔcH°liquid	[-5468.70; -5437.90]	kJ/mol
ΔcH°liquid	-5468.70 ± 1.50	kJ/mol	NIST
ΔcH°liquid	-5437.90	kJ/mol	NIST
ΔfG°	17.33	kJ/mol	KDB
Δc,grossH	5468.66	kJ/mol	KDB
Δc,netH	5072.514	kJ/mol	KDB
ΔfH°gas	[-213.10; -213.00]	kJ/mol
ΔfH°gas	-213.10	kJ/mol	KDB
ΔfH°gas	-213.00 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-252.00 ± 1.50	kJ/mol	NIST
ΔfusH°	9.43	kJ/mol	Joback Calculated Property
ΔvapH°	[33.00; 39.03]	kJ/mol
ΔvapH°	39.03	kJ/mol	NIST
ΔvapH°	39.00 ± 0.10	kJ/mol	NIST
ΔvapH°	38.97	kJ/mol	NIST
ΔvapH°	33.00	kJ/mol	NIST
log10WS	-2.69		Crippen Calculated Property
logPoct/wat	3.079		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
Pc	[2690.00; 2692.10]	kPa
Pc	2690.00	kPa	KDB
Pc	2690.00 ± 40.00	kPa	NIST
Pc	2692.10 ± 40.53	kPa	NIST
ρc	[244.45; 244.45]	kg/m3
ρc	244.45 ± 4.57	kg/m3	NIST
ρc	244.45 ± 4.57	kg/m3	NIST
Inp	[764.00; 780.30]
Inp	769.60		NIST
Inp	Outlier 780.30		NIST
Inp	772.00		NIST
Inp	765.00		NIST
Inp	774.70		NIST
Inp	768.00		NIST
Inp	770.50		NIST
Inp	770.50		NIST
Inp	770.60		NIST
Inp	770.50		NIST
Inp	770.60		NIST
Inp	Outlier 780.10		NIST
Inp	Outlier 780.00		NIST
Inp	771.00		NIST
Inp	771.00		NIST
Inp	769.00		NIST
Inp	771.10		NIST
Inp	770.60		NIST
Inp	772.60		NIST
Inp	767.00		NIST
Inp	769.00		NIST
Inp	771.00		NIST
Inp	770.10		NIST
Inp	772.90		NIST
Inp	768.40		NIST
Inp	769.30		NIST
Inp	770.20		NIST
Inp	771.20		NIST
Inp	766.00		NIST
Inp	767.00		NIST
Inp	768.00		NIST
Inp	769.00		NIST
Inp	770.00		NIST
Inp	771.00		NIST
Inp	770.50		NIST
Inp	770.80		NIST
Inp	770.50		NIST
Inp	770.80		NIST
Inp	769.00		NIST
Inp	769.00		NIST
Inp	769.00		NIST
Inp	773.00		NIST
Inp	774.00		NIST
Inp	772.00		NIST
Inp	770.90		NIST
Inp	766.00		NIST
Inp	774.00		NIST
Inp	771.00		NIST
Inp	773.00		NIST
Inp	768.00		NIST
Inp	769.00		NIST
Inp	770.00		NIST
Inp	770.00		NIST
Inp	771.00		NIST
Inp	770.80		NIST
Inp	773.00		NIST
Inp	768.00		NIST
Inp	774.00		NIST
Inp	770.00		NIST
Inp	770.00		NIST
Inp	768.00		NIST
Inp	771.00		NIST
Inp	772.00		NIST
Inp	774.00		NIST
Inp	769.00		NIST
Inp	771.00		NIST
Inp	769.00		NIST
Inp	771.00		NIST
Inp	773.00		NIST
Inp	770.00		NIST
Inp	771.00		NIST
Inp	773.00		NIST
Inp	Outlier 764.00		NIST
Inp	772.00		NIST
Inp	767.20		NIST
Inp	770.20		NIST
Inp	764.08		NIST
Inp	767.60		NIST
Inp	765.50		NIST
Inp	768.08		NIST
Inp	765.00		NIST
Inp	766.04		NIST
Inp	767.33		NIST
Inp	768.12		NIST
Inp	766.33		NIST
Inp	767.70		NIST
Inp	768.60		NIST
Inp	Outlier 764.00		NIST
Inp	768.00		NIST
Inp	768.00		NIST
Inp	771.00		NIST
Inp	769.00		NIST
Inp	771.00		NIST
Inp	776.00		NIST
Inp	773.00		NIST
Inp	765.00		NIST
Inp	772.00		NIST
Inp	772.00		NIST
Inp	768.00		NIST
Inp	770.00		NIST
Inp	767.00		NIST
Inp	772.00		NIST
Inp	774.00		NIST
Inp	771.00		NIST
Inp	772.00		NIST
Inp	772.00		NIST
Inp	768.00		NIST
Inp	765.00		NIST
Inp	770.00		NIST
Inp	766.00		NIST
Inp	770.00		NIST
Inp	770.20		NIST
Inp	765.00		NIST
Inp	767.70		NIST
Inp	774.00		NIST
Tboil	[389.65; 391.90]	K
Tboil	390.88	K	KDB
Tboil	390.90	K	NIST
Tboil	390.90	K	NIST
Tboil	391.15 ± 1.00	K	NIST
Tboil	390.91 ± 0.10	K	NIST
Tboil	390.88 ± 0.20	K	NIST
Tboil	390.20 ± 0.30	K	NIST
Tboil	391.15 ± 1.00	K	NIST
Tboil	390.60 ± 0.15	K	NIST
Tboil	391.15 ± 0.50	K	NIST
Tboil	390.87 ± 0.01	K	NIST
Tboil	390.78 ± 0.40	K	NIST
Tboil	390.89 ± 0.30	K	NIST
Tboil	390.55 ± 0.30	K	NIST
Tboil	390.55 ± 0.30	K	NIST
Tboil	390.87 ± 0.10	K	NIST
Tboil	391.15 ± 0.30	K	NIST
Tboil	391.00 ± 0.30	K	NIST
Tboil	391.05 ± 0.20	K	NIST
Tboil	Outlier 389.65 ± 0.60	K	NIST
Tboil	Outlier 391.90 ± 0.50	K	NIST
Tboil	Outlier 389.65 ± 0.50	K	NIST
Tc	[568.78; 568.80]	K
Tc	568.80	K	KDB
Tc	568.80 ± 0.50	K	NIST
Tc	568.80	K	NIST
Tc	568.78 ± 0.40	K	NIST
Tfus	149.92	K	Joback Calculated Property
Vc	[0.466; 0.466]	m3/kmol
Vc	0.466	m3/kmol	KDB
Vc	0.466	m3/kmol	NIST
Zc	0.2650590		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[245.18; 300.41]	J/mol×K	[406.70; 522.60]
Cp,gas	245.18	J/mol×K	406.70	NIST
Cp,gas	272.38	J/mol×K	462.30	NIST
Cp,gas	300.41	J/mol×K	522.60	NIST
η	[0.0002299; 0.0231912]	Pa×s	[149.92; 381.56]
η	0.0231912	Pa×s	149.92	Joback Calculated Property
η	0.0048914	Pa×s	188.53	Joback Calculated Property
η	0.0017511	Pa×s	227.13	Joback Calculated Property
η	0.0008449	Pa×s	265.74	Joback Calculated Property
η	0.0004905	Pa×s	304.35	Joback Calculated Property
η	0.0003218	Pa×s	342.95	Joback Calculated Property
η	0.0002299	Pa×s	381.56	Joback Calculated Property
ΔvapH	[33.24; 41.30]	kJ/mol	[320.50; 391.90]
ΔvapH	41.30	kJ/mol	320.50	NIST
ΔvapH	37.70	kJ/mol	352.50	NIST
ΔvapH	33.24	kJ/mol	390.90	NIST
ΔvapH	33.27	kJ/mol	391.90	KDB
n0	1.40180		298.15	KDB
ρl	719.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[284.48; 417.54]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41933e+01
Coefficient B			-3.27107e+03
Coefficient C			-4.92520e+01
Temperature range, min.			284.48
Temperature range, max.			417.54
Pvap	1.33	kPa	284.48	Calculated Property
Pvap	3.03	kPa	299.26	Calculated Property
Pvap	6.30	kPa	314.05	Calculated Property
Pvap	12.10	kPa	328.83	Calculated Property
Pvap	21.78	kPa	343.62	Calculated Property
Pvap	37.06	kPa	358.40	Calculated Property
Pvap	60.06	kPa	373.19	Calculated Property
Pvap	93.33	kPa	387.97	Calculated Property
Pvap	139.77	kPa	402.76	Calculated Property
Pvap	202.65	kPa	417.54	Calculated Property
Pvap	[0.12; 2683.23]	kPa	[250.00; 568.80]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.76065e+01
Coefficient B			-7.55662e+03
Coefficient C			-1.08609e+01
Coefficient D			7.63359e-06
Temperature range, min.			250.00
Temperature range, max.			568.80
Pvap	0.12	kPa	250.00	Calculated Property
Pvap	1.41	kPa	285.42	Calculated Property
Pvap	8.69	kPa	320.84	Calculated Property
Pvap	34.81	kPa	356.27	Calculated Property
Pvap	103.62	kPa	391.69	Calculated Property
Pvap	250.10	kPa	427.11	Calculated Property
Pvap	519.07	kPa	462.53	Calculated Property
Pvap	965.34	kPa	497.96	Calculated Property
Pvap	1657.07	kPa	533.38	Calculated Property
Pvap	2683.23	kPa	568.80	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 3,4-dimethyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
• 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.
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