Chemical Properties of Hexane, 2,2-dimethyl- (CAS 590-73-8)

InChI

InChI=1S/C8H18/c1-5-6-7-8(2,3)4/h5-7H2,1-4H3

InChI Key

FLTJDUOFAQWHDF-UHFFFAOYSA-N

Formula

C8H18

SMILES

CCCCC(C)(C)C

Molecular Weight¹

114.23

CAS

590-73-8

Other Names

• (CH3)3C(CH2)3CH3
• 2,2-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).
• 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	351.150	K	KDB
ΔcH°liquid	-5458.61 ± 0.88	kJ/mol	NIST
ΔfG°	10.72	kJ/mol	KDB
Δc,grossH	5458.61	kJ/mol	KDB
Δc,netH	5062.473	kJ/mol	KDB
ΔfH°gas	[-224.90; -224.70]	kJ/mol
ΔfH°gas	-224.90	kJ/mol	KDB
ΔfH°gas	-224.70 ± 1.00	kJ/mol	NIST
ΔfH°liquid	-262.00 ± 1.00	kJ/mol	NIST
ΔfusH°	9.06	kJ/mol	Joback Calculated Property
ΔvapH°	[37.29; 37.36]	kJ/mol
ΔvapH°	37.36	kJ/mol	NIST
ΔvapH°	37.30	kJ/mol	NIST
ΔvapH°	37.30 ± 0.10	kJ/mol	NIST
ΔvapH°	37.29	kJ/mol	NIST
log10WS	-2.93		Crippen Calculated Property
logPoct/wat	3.223		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
Pc	[2529.20; 2530.00]	kPa
Pc	2530.00	kPa	KDB
Pc	2530.00 ± 40.00	kPa	NIST
Pc	2529.20 ± 40.53	kPa	NIST
ρc	[238.74; 238.74]	kg/m3
ρc	238.74 ± 4.57	kg/m3	NIST
ρc	238.74 ± 4.57	kg/m3	NIST
Inp	[713.00; 727.80]
Inp	719.40		NIST
Inp	720.00		NIST
Inp	718.00		NIST
Inp	721.30		NIST
Inp	718.00		NIST
Inp	722.90		NIST
Inp	722.80		NIST
Inp	722.80		NIST
Inp	722.80		NIST
Inp	723.20		NIST
Inp	719.00		NIST
Inp	723.00		NIST
Inp	722.10		NIST
Inp	723.80		NIST
Inp	721.00		NIST
Inp	723.00		NIST
Inp	Outlier 726.00		NIST
Inp	718.60		NIST
Inp	719.80		NIST
Inp	719.00		NIST
Inp	720.00		NIST
Inp	720.00		NIST
Inp	721.30		NIST
Inp	722.00		NIST
Inp	722.90		NIST
Inp	723.70		NIST
Inp	720.00		NIST
Inp	721.00		NIST
Inp	722.00		NIST
Inp	723.00		NIST
Inp	724.00		NIST
Inp	Outlier 726.00		NIST
Inp	722.90		NIST
Inp	722.80		NIST
Inp	723.00		NIST
Inp	723.00		NIST
Inp	722.00		NIST
Inp	718.00		NIST
Inp	721.00		NIST
Inp	724.00		NIST
Inp	720.00		NIST
Inp	718.00		NIST
Inp	715.80		NIST
Inp	719.00		NIST
Inp	720.00		NIST
Inp	725.75		NIST
Inp	Outlier 726.42		NIST
Inp	Outlier 727.80		NIST
Inp	723.77		NIST
Inp	724.77		NIST
Inp	722.00		NIST
Inp	Outlier 715.00		NIST
Inp	716.00		NIST
Inp	716.00		NIST
Inp	716.00		NIST
Inp	717.00		NIST
Inp	719.70		NIST
Inp	720.00		NIST
Inp	720.00		NIST
Inp	720.00		NIST
Inp	721.00		NIST
Inp	718.00		NIST
Inp	722.00		NIST
Inp	719.00		NIST
Inp	718.00		NIST
Inp	720.00		NIST
Inp	720.00		NIST
Inp	721.00		NIST
Inp	718.50		NIST
Inp	719.50		NIST
Inp	718.00		NIST
Inp	720.00		NIST
Inp	721.00		NIST
Inp	718.00		NIST
Inp	719.00		NIST
Inp	720.00		NIST
Inp	721.00		NIST
Inp	718.00		NIST
Inp	Outlier 713.00		NIST
Inp	720.40		NIST
Inp	722.50		NIST
Inp	721.60		NIST
Inp	717.00		NIST
Inp	717.90		NIST
Inp	718.82		NIST
Inp	719.27		NIST
Inp	719.00		NIST
Inp	723.90		NIST
Inp	720.90		NIST
Inp	720.10		NIST
Inp	718.00		NIST
Inp	722.00		NIST
Inp	719.00		NIST
Inp	723.00		NIST
Inp	724.00		NIST
Inp	722.00		NIST
Inp	720.00		NIST
Inp	Outlier 715.00		NIST
Inp	720.00		NIST
Inp	723.00		NIST
Inp	720.00		NIST
Inp	721.00		NIST
Inp	719.00		NIST
Inp	720.00		NIST
Inp	720.00		NIST
Inp	722.00		NIST
Inp	720.00		NIST
Inp	718.00		NIST
Inp	716.00		NIST
Inp	722.00		NIST
Inp	718.00		NIST
Tboil	[379.00; 382.00]	K
Tboil	380.01	K	KDB
Tboil	380.00	K	NIST
Tboil	Outlier 382.00	K	NIST
Tboil	379.95 ± 0.30	K	NIST
Tboil	Outlier 379.00 ± 2.00	K	NIST
Tboil	379.99 ± 0.20	K	NIST
Tboil	380.03 ± 0.20	K	NIST
Tboil	380.20 ± 0.50	K	NIST
Tboil	380.01 ± 0.20	K	NIST
Tboil	380.00 ± 0.30	K	NIST
Tboil	380.15 ± 0.50	K	NIST
Tboil	379.65 ± 0.40	K	NIST
Tboil	380.00 ± 0.50	K	NIST
Tboil	380.05 ± 0.30	K	NIST
Tboil	380.01 ± 0.30	K	NIST
Tboil	379.99 ± 0.01	K	NIST
Tboil	380.01 ± 0.30	K	NIST
Tboil	380.25 ± 0.50	K	NIST
Tboil	380.15 ± 1.00	K	NIST
Tboil	379.99 ± 0.10	K	NIST
Tboil	379.95 ± 0.40	K	NIST
Tboil	379.35 ± 0.50	K	NIST
Tboil	380.10 ± 0.60	K	NIST
Tboil	379.65 ± 1.50	K	NIST
Tc	[549.80; 549.80]	K
Tc	549.80	K	KDB
Tc	549.80 ± 0.50	K	NIST
Tc	549.80 ± 0.40	K	NIST
Tfus	[151.59; 152.00]	K
Tfus	151.97	K	KDB
Tfus	151.93 ± 0.06	K	NIST
Tfus	151.94 ± 0.05	K	NIST
Tfus	151.97 ± 0.03	K	NIST
Tfus	151.97 ± 0.10	K	NIST
Tfus	152.00 ± 0.08	K	NIST
Tfus	Outlier 151.59 ± 0.20	K	NIST
Tfus	151.91 ± 0.01	K	NIST
Tfus	151.90 ± 0.06	K	NIST
Tfus	151.97 ± 0.04	K	NIST
Tfus	151.88 ± 0.08	K	NIST
Vc	[0.478; 0.478]	m3/kmol
Vc	0.478	m3/kmol	KDB
Vc	0.478	m3/kmol	NIST
Zc	0.2645500		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.16; 311.30]	J/mol×K	[379.21; 553.39]
Cp,gas	233.16	J/mol×K	379.21	Joback Calculated Property
Cp,gas	247.76	J/mol×K	408.24	Joback Calculated Property
Cp,gas	261.70	J/mol×K	437.27	Joback Calculated Property
Cp,gas	275.00	J/mol×K	466.30	Joback Calculated Property
Cp,gas	287.68	J/mol×K	495.33	Joback Calculated Property
Cp,gas	299.78	J/mol×K	524.36	Joback Calculated Property
Cp,gas	311.30	J/mol×K	553.39	Joback Calculated Property
η	[0.0002773; 0.0113690]	Pa×s	[182.34; 379.21]
η	0.0113690	Pa×s	182.34	Joback Calculated Property
η	0.0038192	Pa×s	215.15	Joback Calculated Property
η	0.0017124	Pa×s	247.96	Joback Calculated Property
η	0.0009261	Pa×s	280.77	Joback Calculated Property
η	0.0005696	Pa×s	313.59	Joback Calculated Property
η	0.0003841	Pa×s	346.40	Joback Calculated Property
η	0.0002773	Pa×s	379.21	Joback Calculated Property
ΔvapH	[32.07; 39.70]	kJ/mol	[311.50; 382.00]
ΔvapH	39.70	kJ/mol	311.50	NIST
ΔvapH	36.60	kJ/mol	341.50	NIST
ΔvapH	32.26	kJ/mol	380.00	KDB
ΔvapH	32.07	kJ/mol	382.00	NIST
n0	1.39104		298.15	KDB
ρl	695.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[275.11; 406.23]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42379e+01
Coefficient B			-3.25003e+03
Coefficient C			-4.21330e+01
Temperature range, min.			275.11
Temperature range, max.			406.23
Pvap	1.33	kPa	275.11	Calculated Property
Pvap	3.03	kPa	289.68	Calculated Property
Pvap	6.29	kPa	304.25	Calculated Property
Pvap	12.08	kPa	318.82	Calculated Property
Pvap	21.74	kPa	333.39	Calculated Property
Pvap	36.99	kPa	347.95	Calculated Property
Pvap	59.97	kPa	362.52	Calculated Property
Pvap	93.23	kPa	377.09	Calculated Property
Pvap	139.70	kPa	391.66	Calculated Property
Pvap	202.67	kPa	406.23	Calculated Property
Pvap	[2.15e-07; 2517.97]	kPa	[151.97; 549.80]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.72842e+01
Coefficient B			-7.33307e+03
Coefficient C			-1.08622e+01
Coefficient D			8.00732e-06
Temperature range, min.			151.97
Temperature range, max.			549.80
Pvap	2.15e-07	kPa	151.97	Calculated Property
Pvap	8.01e-04	kPa	196.17	Calculated Property
Pvap	0.10	kPa	240.38	Calculated Property
Pvap	2.19	kPa	284.58	Calculated Property
Pvap	18.09	kPa	328.78	Calculated Property
Pvap	82.82	kPa	372.99	Calculated Property
Pvap	260.58	kPa	417.19	Calculated Property
Pvap	641.59	kPa	461.39	Calculated Property
Pvap	1342.08	kPa	505.60	Calculated Property
Pvap	2517.97	kPa	549.80	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 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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