Chemical Properties of Hexane, 3,3-dimethyl- (CAS 563-16-6)

InChI

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

InChI Key

KUMXLFIBWFCMOJ-UHFFFAOYSA-N

Formula

C8H18

SMILES

CCCC(C)(C)CC

Molecular Weight¹

114.23

CAS

563-16-6

Other Names

• 3,3-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).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_sat : Molar heat capacity at saturation pressure (J/mol×K).
• μ : Dipole Moment (debye).
• 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).
• IE : Ionization energy (eV).
• 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_triple : Triple Point 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).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.3176; 0.3206]
ω	0.3176		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3206		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.3200		ChemSep v8.3 pure component data Compiled value
ω	0.3200		KDB
AP	345.150	K	KDB
ΔcH°liquid	-5462.97 ± 0.96	kJ/mol	NIST
μ	0.00	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	[13.26; 13.27]	kJ/mol
ΔfG°	13.26	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	13.27	kJ/mol	KDB
Δc,grossH	5462.97	kJ/mol	KDB
Δc,netH	5066.824	kJ/mol	KDB
ΔfH°gas	[-220.30; -220.10]	kJ/mol
ΔfH°gas	-220.12	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-220.30	kJ/mol	KDB
ΔfH°gas	-220.10 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-257.70 ± 1.10	kJ/mol	NIST
ΔfusH°	9.06	kJ/mol	Joback Calculated Property
ΔvapH°	[37.50; 37.60]	kJ/mol
ΔvapH°	37.60	kJ/mol	NIST
ΔvapH°	37.50 ± 0.10	kJ/mol	NIST
ΔvapH°	37.53	kJ/mol	NIST
ΔvapH°	37.50 ± 0.10	kJ/mol	NIST
ΔvapH°	37.53	kJ/mol	NIST
IE	9.54	eV	Relay (1.0) Calculated Property
log10WS	-4.60		Relay (1.0) Calculated Property
logPoct/wat	3.223		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
Pc	[2649.65; 2653.79]	kPa
Pc	2650.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Pc	2649.65	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2653.79	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	2650.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	2650.00	kPa	KDB
Pc	2650.00 ± 40.00	kPa	NIST
Pc	2653.40 ± 40.53	kPa	NIST
Ptriple	4.74e-08	kPa	ChemSep v8.3 pure component data Compiled value
ρc	[258.16; 258.16]	kg/m3
ρc	258.16 ± 4.57	kg/m3	NIST
ρc	258.16 ± 4.57	kg/m3	NIST
Inp	[735.00; 751.28]
Inp	738.60		NIST
Inp	741.10		NIST
Inp	737.00		NIST
Inp	737.00		NIST
Inp	747.60		NIST
Inp	740.00		NIST
Inp	742.90		NIST
Inp	742.80		NIST
Inp	743.00		NIST
Inp	743.00		NIST
Inp	743.00		NIST
Inp	743.00		NIST
Inp	741.20		NIST
Inp	744.00		NIST
Inp	739.00		NIST
Inp	741.00		NIST
Inp	743.00		NIST
Inp	743.10		NIST
Inp	745.20		NIST
Inp	743.00		NIST
Inp	744.00		NIST
Inp	745.00		NIST
Inp	740.40		NIST
Inp	741.20		NIST
Inp	741.80		NIST
Inp	742.90		NIST
Inp	738.00		NIST
Inp	739.00		NIST
Inp	740.00		NIST
Inp	741.00		NIST
Inp	742.00		NIST
Inp	743.00		NIST
Inp	742.90		NIST
Inp	743.00		NIST
Inp	743.30		NIST
Inp	746.00		NIST
Inp	746.00		NIST
Inp	747.40		NIST
Inp	748.70		NIST
Inp	745.00		NIST
Inp	744.00		NIST
Inp	746.00		NIST
Inp	747.60		NIST
Inp	Outlier 749.57		NIST
Inp	Outlier 751.28		NIST
Inp	744.29		NIST
Inp	745.86		NIST
Inp	742.00		NIST
Inp	743.00		NIST
Inp	739.00		NIST
Inp	741.00		NIST
Inp	742.00		NIST
Inp	743.00		NIST
Inp	744.00		NIST
Inp	743.70		NIST
Inp	746.00		NIST
Inp	740.00		NIST
Inp	747.00		NIST
Inp	742.00		NIST
Inp	740.00		NIST
Inp	744.00		NIST
Inp	746.00		NIST
Inp	748.00		NIST
Inp	741.00		NIST
Inp	743.50		NIST
Inp	741.00		NIST
Inp	744.00		NIST
Inp	746.00		NIST
Inp	742.00		NIST
Inp	744.00		NIST
Inp	746.00		NIST
Inp	Outlier 735.00		NIST
Inp	742.00		NIST
Inp	738.30		NIST
Inp	741.60		NIST
Inp	Outlier 735.27		NIST
Inp	735.71		NIST
Inp	739.20		NIST
Inp	736.36		NIST
Inp	736.45		NIST
Inp	743.00		NIST
Inp	Outlier 735.00		NIST
Inp	739.00		NIST
Inp	740.00		NIST
Inp	744.00		NIST
Inp	741.00		NIST
Inp	743.00		NIST
Inp	Outlier 750.00		NIST
Inp	746.00		NIST
Inp	736.00		NIST
Inp	742.00		NIST
Inp	743.00		NIST
Inp	748.00		NIST
Inp	744.00		NIST
Inp	745.00		NIST
Inp	739.00		NIST
Inp	738.00		NIST
Inp	737.00		NIST
Inp	740.00		NIST
Inp	741.00		NIST
Inp	740.00		NIST
Inp	746.00		NIST
Inp	Outlier 735.00		NIST
Inp	742.00		NIST
Inp	739.00		NIST
Inp	738.30		NIST
Inp	738.60		NIST
Inp	743.00		NIST
Inp	741.00		NIST
Inp	744.00		NIST
Inp	742.90		NIST
Inp	744.29		NIST
Inp	741.60		NIST
Inp	736.45		NIST
Inp	748.00		NIST
Inp	737.00		NIST
Tboil	[384.10; 393.05]	K
Tboil	385.12	K	ChemSep v8.3 pure component data Compiled value
Tboil	385.12	K	KDB
Tboil	385.20	K	NIST
Tboil	385.10	K	NIST
Tboil	384.65 ± 0.60	K	NIST
Tboil	385.13 ± 0.10	K	NIST
Tboil	385.12 ± 0.20	K	NIST
Tboil	385.00 ± 0.30	K	NIST
Tboil	385.05 ± 0.30	K	NIST
Tboil	385.35 ± 0.30	K	NIST
Tboil	385.10 ± 0.15	K	NIST
Tboil	Outlier 393.05 ± 0.50	K	NIST
Tboil	385.11 ± 0.01	K	NIST
Tboil	385.35 ± 0.50	K	NIST
Tboil	385.12 ± 0.10	K	NIST
Tboil	385.05 ± 0.30	K	NIST
Tboil	385.15 ± 0.50	K	NIST
Tboil	385.20 ± 0.50	K	NIST
Tboil	384.10 ± 0.60	K	NIST
Tboil	384.65 ± 1.50	K	NIST
Tc	[561.95; 562.02]	K
Tc	562.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Tc	562.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	562.02	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	562.00	K	ChemSep v8.3 pure component data Compiled value
Tc	562.00	K	KDB
Tc	562.00 ± 0.50	K	NIST
Tc	Outlier 561.95 ± 0.40	K	NIST
Tfus	[146.97; 147.10]	K
Tfus	Outlier 147.10	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	147.05	K	ChemSep v8.3 pure component data Compiled value
Tfus	147.00	K	KDB
Tfus	147.04 ± 0.03	K	NIST
Tfus	147.04 ± 0.02	K	NIST
Tfus	147.04 ± 0.02	K	NIST
Tfus	146.98 ± 0.30	K	NIST
Tfus	147.02 ± 0.01	K	NIST
Tfus	146.99 ± 0.06	K	NIST
Tfus	146.97 ± 0.10	K	NIST
Ttriple	147.05	K	ChemSep v8.3 pure component data Compiled value
UQi	5.01		ChemSep v8.3 pure component data Compiled value
URi	5.85		ChemSep v8.3 pure component data Compiled value
Vc	[0.443; 0.443]	m3/kmol
Vc	0.443	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Vc	0.443	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.443	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.443	m3/kmol	KDB
Vc	0.443	m3/kmol	NIST
Zc	[0.2510000; 0.2512330]
Zc	0.2510000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Zc	0.2510000		ChemSep v8.3 pure component data Compiled value
Zc	0.2512330		KDB
Zra	0.27		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	246.60	J/mol×K	298.15	NIST
Csat	[238.00; 254.00]	J/mol×K	[290.00; 305.00]
Csat	238.00	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	243.30	J/mol×K	295.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	246.70	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	248.70	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	254.00	J/mol×K	305.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔvapH	[32.31; 41.20]	kJ/mol	[316.00; 385.10]
ΔvapH	41.20	kJ/mol	316.00	NIST
ΔvapH	36.60	kJ/mol	347.00	NIST
ΔvapH	32.47	kJ/mol	385.10	KDB
ΔvapH	32.31	kJ/mol	385.10	NIST
n0	1.39782		298.15	KDB
ρl	710.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[129.35; 529.00]	J/mol×K	[200.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.38540e+01
Coefficient B			-4.26620e+02
Coefficient C			6.06624e+00
Coefficient D			4.45540e-04
Coefficient E			-1.46450e-07
Temperature range, min.			200.00
Temperature range, max.			1500.00
Cp,gas	129.35	J/mol×K	200.00	Calculated Property
Cp,gas	216.98	J/mol×K	344.44	Calculated Property
Cp,gas	290.10	J/mol×K	488.89	Calculated Property
Cp,gas	348.66	J/mol×K	633.33	Calculated Property
Cp,gas	396.21	J/mol×K	777.78	Calculated Property
Cp,gas	435.25	J/mol×K	922.22	Calculated Property
Cp,gas	467.28	J/mol×K	1066.67	Calculated Property
Cp,gas	493.23	J/mol×K	1211.11	Calculated Property
Cp,gas	513.68	J/mol×K	1355.56	Calculated Property
Cp,gas	529.00	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[206.94; 298.65]	J/mol×K	[226.41; 385.12]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			1.30950e+02
Coefficient B			-5.44100e+01
Coefficient C			2.80244e+00
Coefficient D			9.83730e-03
Coefficient E			-8.95070e-06
Temperature range, min.			226.41
Temperature range, max.			385.12
Cp,liquid	206.94	J/mol×K	226.41	Calculated Property
Cp,liquid	216.33	J/mol×K	244.04	Calculated Property
Cp,liquid	226.14	J/mol×K	261.68	Calculated Property
Cp,liquid	236.27	J/mol×K	279.31	Calculated Property
Cp,liquid	246.66	J/mol×K	296.95	Calculated Property
Cp,liquid	257.21	J/mol×K	314.58	Calculated Property
Cp,liquid	267.80	J/mol×K	332.22	Calculated Property
Cp,liquid	278.33	J/mol×K	349.85	Calculated Property
Cp,liquid	288.65	J/mol×K	367.49	Calculated Property
Cp,liquid	298.65	J/mol×K	385.12	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0045159; 0.0002039]	Pa×s	[180.00; 400.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-7.02020e+00
Coefficient B			9.24420e+02
Coefficient C			-6.90610e-01
Coefficient D			2.18210e-06
Coefficient E			2.00000e+00
Temperature range, min.			180.00
Temperature range, max.			400.00
η	0.0045159	Pa×s	180.00	Calculated Property
η	0.0022845	Pa×s	204.44	Calculated Property
η	0.0013342	Pa×s	228.89	Calculated Property
η	0.0008644	Pa×s	253.33	Calculated Property
η	0.0006053	Pa×s	277.78	Calculated Property
η	0.0004500	Pa×s	302.22	Calculated Property
η	0.0003508	Pa×s	326.67	Calculated Property
η	0.0002841	Pa×s	351.11	Calculated Property
η	0.0002375	Pa×s	375.56	Calculated Property
η	0.0002039	Pa×s	400.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[47.32; 14.16]	kJ/mol	[147.05; 540.16]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			5.87550e+01
Coefficient B			8.12570e-01
Coefficient C			-2.72170e-01
Coefficient D			-5.14220e-01
Coefficient E			4.08030e-01
Critical temperature, Tc (K)			5.62000e+02
Temperature range, min.			147.05
Temperature range, max.			540.16
ΔvapH	47.32	kJ/mol	147.05	Calculated Property
ΔvapH	44.38	kJ/mol	190.73	Calculated Property
ΔvapH	41.61	kJ/mol	234.41	Calculated Property
ΔvapH	38.97	kJ/mol	278.09	Calculated Property
ΔvapH	36.36	kJ/mol	321.77	Calculated Property
ΔvapH	33.66	kJ/mol	365.44	Calculated Property
ΔvapH	30.67	kJ/mol	409.12	Calculated Property
ΔvapH	27.08	kJ/mol	452.80	Calculated Property
ΔvapH	22.24	kJ/mol	496.48	Calculated Property
ΔvapH	14.16	kJ/mol	540.16	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[278.15; 411.87]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42437e+01
Coefficient B			-3.31817e+03
Coefficient C			-4.03870e+01
Temperature range, min.			278.15
Temperature range, max.			411.87
Pvap	1.33	kPa	278.15	Calculated Property
Pvap	3.03	kPa	293.01	Calculated Property
Pvap	6.29	kPa	307.87	Calculated Property
Pvap	12.07	kPa	322.72	Calculated Property
Pvap	21.73	kPa	337.58	Calculated Property
Pvap	36.98	kPa	352.44	Calculated Property
Pvap	59.95	kPa	367.30	Calculated Property
Pvap	93.21	kPa	382.15	Calculated Property
Pvap	139.67	kPa	397.01	Calculated Property
Pvap	202.64	kPa	411.87	Calculated Property
Pvap	[1.52e-08; 2665.84]	kPa	[147.05; 562.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			1.03042e+02
Coefficient B			-8.11930e+03
Coefficient C			-1.32320e+01
Coefficient D			9.72510e-06
Coefficient E			2.00000e+00
Temperature range, min.			147.05
Temperature range, max.			562.00
Pvap	1.52e-08	kPa	147.05	Calculated Property
Pvap	2.54e-04	kPa	193.16	Calculated Property
Pvap	0.06	kPa	239.26	Calculated Property
Pvap	1.77	kPa	285.37	Calculated Property
Pvap	16.84	kPa	331.47	Calculated Property
Pvap	82.21	kPa	377.58	Calculated Property
Pvap	266.18	kPa	423.68	Calculated Property
Pvap	664.28	kPa	469.79	Calculated Property
Pvap	1403.15	kPa	515.89	Calculated Property
Pvap	2665.84	kPa	562.00	Calculated Property
Pvap	[4.73e-08; 2649.11]	kPa	[147.05; 562.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			8.59858e+01
Coefficient B			-7.31793e+03
Coefficient C			-1.06713e+01
Coefficient D			7.86020e-06
Coefficient E			0.00000e+00
Temperature range, min.			147.05
Temperature range, max.			562.00
Pvap	4.73e-08	kPa	147.05	Calculated Property
Pvap	4.20e-04	kPa	193.16	Calculated Property
Pvap	0.07	kPa	239.26	Calculated Property
Pvap	1.91	kPa	285.37	Calculated Property
Pvap	17.14	kPa	331.47	Calculated Property
Pvap	81.79	kPa	377.58	Calculated Property
Pvap	263.54	kPa	423.68	Calculated Property
Pvap	659.05	kPa	469.79	Calculated Property
Pvap	1395.63	kPa	515.89	Calculated Property
Pvap	2649.11	kPa	562.00	Calculated Property
Pvap	[0.13; 100.48]	kPa	[247.40; 385.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.34917e+01
Coefficient B			-2.86300e+03
Coefficient C			-6.26550e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			247.40
Temperature range, max.			385.00
Pvap	0.13	kPa	247.40	Calculated Property
Pvap	0.44	kPa	262.69	Calculated Property
Pvap	1.22	kPa	277.98	Calculated Property
Pvap	2.94	kPa	293.27	Calculated Property
Pvap	6.35	kPa	308.56	Calculated Property
Pvap	12.56	kPa	323.84	Calculated Property
Pvap	23.02	kPa	339.13	Calculated Property
Pvap	39.61	kPa	354.42	Calculated Property
Pvap	64.57	kPa	369.71	Calculated Property
Pvap	100.48	kPa	385.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[797.14; 259.71]	kg/m3	[147.05; 561.95]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			5.24983e+01
Coefficient B			2.45670e-01
Coefficient C			5.62000e+02
Coefficient D			2.11620e-01
Temperature range, min.			147.05
Temperature range, max.			561.95
ρl	797.14	kg/m3	147.05	Calculated Property
ρl	771.72	kg/m3	193.15	Calculated Property
ρl	744.61	kg/m3	239.25	Calculated Property
ρl	715.37	kg/m3	285.35	Calculated Property
ρl	683.40	kg/m3	331.45	Calculated Property
ρl	647.73	kg/m3	377.55	Calculated Property
ρl	606.67	kg/m3	423.65	Calculated Property
ρl	556.81	kg/m3	469.75	Calculated Property
ρl	488.66	kg/m3	515.85	Calculated Property
ρl	259.71	kg/m3	561.95	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.00]	N/m	[147.05; 540.16]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-1.34710e-02
Coefficient B			1.33630e+01
Coefficient C			-2.98000e+00
Coefficient D			-4.98320e-04
Coefficient E			-3.45780e-06
Temperature range, min.			147.05
Temperature range, max.			540.16
γ	0.03	N/m	147.05	Calculated Property
γ	0.03	N/m	190.73	Calculated Property
γ	0.03	N/m	234.41	Calculated Property
γ	0.02	N/m	278.09	Calculated Property
γ	0.02	N/m	321.77	Calculated Property
γ	0.01	N/m	365.44	Calculated Property
γ	0.01	N/m	409.12	Calculated Property
γ	0.01	N/m	452.80	Calculated Property
γ	0.00	N/m	496.48	Calculated Property
γ	0.00	N/m	540.16	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.10]	W/m×K	[147.05; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			2.80720e-05
Coefficient B			1.17860e+00
Coefficient C			-1.68430e+02
Coefficient D			1.51580e+05
Temperature range, min.			147.05
Temperature range, max.			1000.00
λgas	0.00	W/m×K	147.05	Calculated Property
λgas	0.01	W/m×K	241.82	Calculated Property
λgas	0.01	W/m×K	336.59	Calculated Property
λgas	0.03	W/m×K	431.37	Calculated Property
λgas	0.04	W/m×K	526.14	Calculated Property
λgas	0.05	W/m×K	620.91	Calculated Property
λgas	0.06	W/m×K	715.68	Calculated Property
λgas	0.07	W/m×K	810.46	Calculated Property
λgas	0.09	W/m×K	905.23	Calculated Property
λgas	0.10	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.14; 0.09]	W/m×K	[147.05; 385.12]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K
Coefficient A			-7.47770e-02
Coefficient B			3.66540e+00
Coefficient C			-1.49530e+00
Coefficient D			-4.57090e-04
Coefficient E			-1.11300e-06
Temperature range, min.			147.05
Temperature range, max.			385.12
λliquid	0.14	W/m×K	147.05	Calculated Property
λliquid	0.13	W/m×K	173.50	Calculated Property
λliquid	0.12	W/m×K	199.95	Calculated Property
λliquid	0.12	W/m×K	226.41	Calculated Property
λliquid	0.11	W/m×K	252.86	Calculated Property
λliquid	0.11	W/m×K	279.31	Calculated Property
λliquid	0.10	W/m×K	305.76	Calculated Property
λliquid	0.10	W/m×K	332.22	Calculated Property
λliquid	0.09	W/m×K	358.67	Calculated Property
λliquid	0.09	W/m×K	385.12	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 ChEDL chemicals 1.5.2, from Daubert, T. E. Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes. J. Chem. Eng. Data 1996, 41, 365-372.
• Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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