Chemical Properties of Hexane, 2,3-dimethyl- (CAS 584-94-1)

InChI

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

InChI Key

JXPOLSKBTUYKJB-UHFFFAOYSA-N

Formula

C8H18

SMILES

CCCC(C)C(C)C

Molecular Weight¹

114.23

CAS

584-94-1

Other Names

• 2,3-DimethyIhexane
• 2,3-Dimethylhexane

• 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).
• NFPA Fire : NFPA Fire Rating.
• 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	0.3460		KDB
AP	343.750	K	KDB
ΔcH°liquid	-5467.90 ± 1.40	kJ/mol	NIST
ΔfG°	17.71	kJ/mol	KDB
Δc,grossH	5467.90	kJ/mol	KDB
Δc,netH	5071.762	kJ/mol	KDB
ΔfH°gas	[-214.10; -213.90]	kJ/mol
ΔfH°gas	-214.10	kJ/mol	KDB
ΔfH°gas	-213.90 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-252.80 ± 1.50	kJ/mol	NIST
ΔfusH°	9.43	kJ/mol	Joback Calculated Property
ΔvapH°	[38.79; 38.83]	kJ/mol
ΔvapH°	38.83	kJ/mol	NIST
ΔvapH°	38.80	kJ/mol	NIST
ΔvapH°	38.80 ± 0.10	kJ/mol	NIST
ΔvapH°	38.79	kJ/mol	NIST
log10WS	-2.69		Crippen Calculated Property
logPoct/wat	3.079		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
Pc	[2628.20; 2630.00]	kPa
Pc	2630.00	kPa	KDB
Pc	2630.00 ± 40.00	kPa	NIST
Pc	2628.20 ± 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	[752.00; 774.00]
Inp	758.60		NIST
Inp	760.20		NIST
Inp	765.60		NIST
Inp	761.00		NIST
Inp	757.00		NIST
Inp	761.40		NIST
Inp	759.60		NIST
Inp	758.00		NIST
Inp	765.60		NIST
Inp	761.00		NIST
Inp	760.30		NIST
Inp	762.20		NIST
Inp	760.10		NIST
Inp	761.50		NIST
Inp	761.00		NIST
Inp	761.00		NIST
Inp	758.00		NIST
Inp	760.00		NIST
Inp	762.00		NIST
Inp	759.70		NIST
Inp	761.10		NIST
Inp	759.60		NIST
Inp	760.20		NIST
Inp	761.00		NIST
Inp	761.80		NIST
Inp	758.00		NIST
Inp	758.00		NIST
Inp	759.00		NIST
Inp	760.00		NIST
Inp	761.00		NIST
Inp	762.00		NIST
Inp	761.40		NIST
Inp	761.40		NIST
Inp	760.00		NIST
Inp	760.00		NIST
Inp	760.00		NIST
Inp	761.00		NIST
Inp	762.00		NIST
Inp	763.00		NIST
Inp	761.00		NIST
Inp	761.20		NIST
Inp	761.20		NIST
Inp	761.00		NIST
Inp	760.00		NIST
Inp	762.00		NIST
Inp	763.66		NIST
Inp	765.12		NIST
Inp	Outlier 766.66		NIST
Inp	761.34		NIST
Inp	762.45		NIST
Inp	761.00		NIST
Inp	761.00		NIST
Inp	757.00		NIST
Inp	758.00		NIST
Inp	758.00		NIST
Inp	759.00		NIST
Inp	760.00		NIST
Inp	760.30		NIST
Inp	760.40		NIST
Inp	761.00		NIST
Inp	758.00		NIST
Inp	761.00		NIST
Inp	760.00		NIST
Inp	759.00		NIST
Inp	760.00		NIST
Inp	761.00		NIST
Inp	762.00		NIST
Inp	759.50		NIST
Inp	760.50		NIST
Inp	760.00		NIST
Inp	760.00		NIST
Inp	762.00		NIST
Inp	758.00		NIST
Inp	759.00		NIST
Inp	761.00		NIST
Inp	761.00		NIST
Inp	755.00		NIST
Inp	Outlier 754.00		NIST
Inp	758.00		NIST
Inp	757.90		NIST
Inp	764.00		NIST
Inp	Outlier 774.00		NIST
Inp	761.10		NIST
Inp	754.96		NIST
Inp	755.35		NIST
Inp	758.30		NIST
Inp	757.90		NIST
Inp	Outlier 754.10		NIST
Inp	754.50		NIST
Inp	756.00		NIST
Inp	757.00		NIST
Inp	760.50		NIST
Inp	759.00		NIST
Inp	760.10		NIST
Inp	758.65		NIST
Inp	759.59		NIST
Inp	760.14		NIST
Inp	758.63		NIST
Inp	759.55		NIST
Inp	760.10		NIST
Inp	Outlier 754.00		NIST
Inp	Outlier 769.99		NIST
Inp	758.00		NIST
Inp	760.00		NIST
Inp	762.00		NIST
Inp	762.00		NIST
Inp	762.00		NIST
Inp	Outlier 752.00		NIST
Inp	761.00		NIST
Inp	761.00		NIST
Inp	757.00		NIST
Inp	759.00		NIST
Inp	761.00		NIST
Inp	762.00		NIST
Inp	763.00		NIST
Inp	763.00		NIST
Inp	761.00		NIST
Inp	761.00		NIST
Inp	758.00		NIST
Inp	761.00		NIST
Inp	757.00		NIST
Inp	759.00		NIST
Inp	757.00		NIST
Inp	760.00		NIST
Inp	756.00		NIST
Inp	761.00		NIST
Inp	Outlier 769.99		NIST
Inp	758.60		NIST
Inp	761.40		NIST
Inp	760.30		NIST
Inp	761.00		NIST
Inp	761.10		NIST
Inp	758.00		NIST
Inp	762.00		NIST
Inp	760.00		NIST
Inp	761.20		NIST
Inp	763.66		NIST
Inp	759.00		NIST
Inp	755.00		NIST
Inp	Outlier 774.00		NIST
Inp	757.90		NIST
Inp	760.50		NIST
Inp	760.14		NIST
Tboil	[387.05; 389.65]	K
Tboil	388.77	K	KDB
Tboil	388.80	K	NIST
Tboil	388.80	K	NIST
Tboil	388.79 ± 0.10	K	NIST
Tboil	388.76 ± 0.20	K	NIST
Tboil	388.75 ± 0.30	K	NIST
Tboil	388.95 ± 0.20	K	NIST
Tboil	388.65 ± 0.30	K	NIST
Tboil	389.00 ± 0.30	K	NIST
Tboil	388.75 ± 0.30	K	NIST
Tboil	389.15 ± 1.00	K	NIST
Tboil	388.65 ± 0.40	K	NIST
Tboil	388.75 ± 0.01	K	NIST
Tboil	388.84 ± 0.30	K	NIST
Tboil	388.75 ± 0.20	K	NIST
Tboil	388.40 ± 0.60	K	NIST
Tboil	Outlier 387.25 ± 1.00	K	NIST
Tboil	388.75 ± 0.10	K	NIST
Tboil	388.65 ± 0.20	K	NIST
Tboil	388.65 ± 0.60	K	NIST
Tboil	Outlier 387.35 ± 1.00	K	NIST
Tboil	388.95 ± 0.30	K	NIST
Tboil	388.95 ± 0.50	K	NIST
Tboil	388.95 ± 0.20	K	NIST
Tboil	388.85 ± 0.50	K	NIST
Tboil	388.45 ± 0.50	K	NIST
Tboil	388.45 ± 0.80	K	NIST
Tboil	Outlier 387.05 ± 0.50	K	NIST
Tboil	389.65 ± 2.00	K	NIST
Tboil	389.65 ± 2.00	K	NIST
Tc	[563.40; 563.50]	K
Tc	563.50	K	KDB
Tc	563.50 ± 0.50	K	NIST
Tc	563.40	K	NIST
Tc	563.42 ± 0.40	K	NIST
Tfus	149.92	K	Joback Calculated Property
Vc	[0.468; 0.468]	m3/kmol
Vc	0.468	m3/kmol	KDB
Vc	0.468	m3/kmol	NIST
Zc	0.2627070		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[240.58; 299.99]	J/mol×K	[397.40; 522.20]
Cp,gas	240.58	J/mol×K	397.40	NIST
Cp,gas	273.22	J/mol×K	463.70	NIST
Cp,gas	299.99	J/mol×K	522.20	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	[33.17; 41.40]	kJ/mol	[319.00; 388.80]
ΔvapH	41.40	kJ/mol	319.00	NIST
ΔvapH	37.60	kJ/mol	350.00	NIST
ΔvapH	33.20	kJ/mol	388.80	KDB
ΔvapH	33.17	kJ/mol	388.80	NIST
n0	1.39880		298.15	KDB
ρl	712.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[283.17; 415.21]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41996e+01
Coefficient B			-3.24994e+03
Coefficient C			-4.95620e+01
Temperature range, min.			283.17
Temperature range, max.			415.21
Pvap	1.33	kPa	283.17	Calculated Property
Pvap	3.03	kPa	297.84	Calculated Property
Pvap	6.30	kPa	312.51	Calculated Property
Pvap	12.10	kPa	327.18	Calculated Property
Pvap	21.78	kPa	341.85	Calculated Property
Pvap	37.05	kPa	356.53	Calculated Property
Pvap	60.05	kPa	371.20	Calculated Property
Pvap	93.31	kPa	385.87	Calculated Property
Pvap	139.75	kPa	400.54	Calculated Property
Pvap	202.64	kPa	415.21	Calculated Property
Pvap	[0.13; 2620.62]	kPa	[250.00; 563.40]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.80002e+01
Coefficient B			-7.54302e+03
Coefficient C			-1.09261e+01
Coefficient D			7.76601e-06
Temperature range, min.			250.00
Temperature range, max.			563.40
Pvap	0.13	kPa	250.00	Calculated Property
Pvap	1.48	kPa	284.82	Calculated Property
Pvap	8.87	kPa	319.64	Calculated Property
Pvap	34.93	kPa	354.47	Calculated Property
Pvap	102.92	kPa	389.29	Calculated Property
Pvap	246.86	kPa	424.11	Calculated Property
Pvap	510.27	kPa	458.93	Calculated Property
Pvap	946.38	kPa	493.76	Calculated Property
Pvap	1621.21	kPa	528.58	Calculated Property
Pvap	2620.62	kPa	563.40	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 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

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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