Chemical Properties of Hexane, 2,5-dimethyl- (CAS 592-13-2)

InChI

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

InChI Key

UWNADWZGEHDQAB-UHFFFAOYSA-N

Formula

C8H18

SMILES

CC(C)CCC(C)C

Molecular Weight¹

114.23

CAS

592-13-2

Other Names

• 2,5-Dimethylhexane
• BIISOBUTYL

• 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).
• 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_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.
• I : 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).
• T_triple : Triple Point Temperature (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	0.3560		KDB
AP	351.150	K	KDB
ΔcH°liquid	[-5460.10; -5266.20]	kJ/mol
ΔcH°liquid	-5460.10 ± 1.40	kJ/mol	NIST
ΔcH°liquid	-5435.90	kJ/mol	NIST
ΔcH°liquid	-5266.20	kJ/mol	NIST
ΔfG°	10.47	kJ/mol	KDB
Δc,grossH	5460.12	kJ/mol	KDB
Δc,netH	5063.979	kJ/mol	KDB
ΔfH°gas	[-222.80; -222.60]	kJ/mol
ΔfH°gas	-222.80	kJ/mol	KDB
ΔfH°gas	-222.60 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-260.50 ± 1.50	kJ/mol	NIST
ΔfusH°	9.43	kJ/mol	Joback Calculated Property
ΔvapH°	[32.00; 37.92]	kJ/mol
ΔvapH°	37.92	kJ/mol	NIST
ΔvapH°	37.90	kJ/mol	NIST
ΔvapH°	37.90 ± 0.10	kJ/mol	NIST
ΔvapH°	37.85	kJ/mol	NIST
ΔvapH°	32.00	kJ/mol	NIST
IE	9.76	eV	NIST
log10WS	-2.69		Crippen Calculated Property
logPoct/wat	3.079		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
Pc	[2486.70; 2490.00]	kPa
Pc	2490.00	kPa	KDB
Pc	2490.00 ± 20.00	kPa	NIST
Pc	2486.70 ± 40.53	kPa	NIST
Pc	2487.80 ± 20.00	kPa	NIST
ρc	[236.45; 236.57]	kg/m3
ρc	236.45 ± 2.28	kg/m3	NIST
ρc	236.45 ± 4.57	kg/m3	NIST
ρc	236.57 ± 2.28	kg/m3	NIST
Inp	[721.00; 758.00]
Inp	730.40		NIST
Inp	731.00		NIST
Inp	731.00		NIST
Inp	732.00		NIST
Inp	730.70		NIST
Inp	732.30		NIST
Inp	734.50		NIST
Inp	727.00		NIST
Inp	732.50		NIST
Inp	732.40		NIST
Inp	732.50		NIST
Inp	732.40		NIST
Inp	732.80		NIST
Inp	731.00		NIST
Inp	732.00		NIST
Inp	733.00		NIST
Inp	733.00		NIST
Inp	728.40		NIST
Inp	729.00		NIST
Inp	731.00		NIST
Inp	731.00		NIST
Inp	732.00		NIST
Inp	728.00		NIST
Inp	729.30		NIST
Inp	728.00		NIST
Inp	728.00		NIST
Inp	729.00		NIST
Inp	732.60		NIST
Inp	732.80		NIST
Inp	733.00		NIST
Inp	733.20		NIST
Inp	730.00		NIST
Inp	731.00		NIST
Inp	731.00		NIST
Inp	731.00		NIST
Inp	732.00		NIST
Inp	732.00		NIST
Inp	732.50		NIST
Inp	732.40		NIST
Inp	732.00		NIST
Inp	732.00		NIST
Inp	732.00		NIST
Inp	723.00		NIST
Inp	729.00		NIST
Inp	728.00		NIST
Inp	730.00		NIST
Inp	729.00		NIST
Inp	728.00		NIST
Inp	733.00		NIST
Inp	728.00		NIST
Inp	729.00		NIST
Inp	724.00		NIST
Inp	725.00		NIST
Inp	725.00		NIST
Inp	725.00		NIST
Inp	726.00		NIST
Inp	728.50		NIST
Inp	728.00		NIST
Inp	728.00		NIST
Inp	729.00		NIST
Inp	728.00		NIST
Inp	727.00		NIST
Inp	728.00		NIST
Inp	729.00		NIST
Inp	729.00		NIST
Inp	728.00		NIST
Inp	729.00		NIST
Inp	728.00		NIST
Inp	728.00		NIST
Inp	729.00		NIST
Inp	730.00		NIST
Inp	728.00		NIST
Inp	729.00		NIST
Inp	729.00		NIST
Inp	730.00		NIST
Inp	729.00		NIST
Inp	727.00		NIST
Inp	727.00		NIST
Inp	Outlier 721.00		NIST
Inp	730.00		NIST
Inp	735.00		NIST
Inp	732.00		NIST
Inp	727.10		NIST
Inp	727.54		NIST
Inp	729.70		NIST
Inp	726.90		NIST
Inp	726.90		NIST
Inp	728.00		NIST
Inp	728.09		NIST
Inp	729.00		NIST
Inp	728.00		NIST
Inp	726.00		NIST
Inp	736.30		NIST
Inp	730.00		NIST
Inp	733.00		NIST
Inp	728.00		NIST
Inp	732.00		NIST
Inp	732.00		NIST
Inp	730.00		NIST
Inp	729.00		NIST
Inp	Outlier 722.00		NIST
Inp	729.00		NIST
Inp	733.00		NIST
Inp	732.00		NIST
Inp	732.00		NIST
Inp	732.00		NIST
Inp	733.00		NIST
Inp	728.00		NIST
Inp	729.00		NIST
Inp	730.00		NIST
Inp	Outlier 758.00		NIST
Inp	729.00		NIST
Inp	730.00		NIST
Inp	731.00		NIST
Inp	732.00		NIST
Inp	728.00		NIST
Inp	728.00		NIST
Inp	733.00		NIST
Inp	729.00		NIST
Inp	730.40		NIST
Inp	732.30		NIST
Inp	732.50		NIST
Inp	731.00		NIST
Inp	728.00		NIST
Inp	733.20		NIST
Inp	732.00		NIST
Inp	730.00		NIST
Inp	726.00		NIST
I	742.00		NIST
Tboil	[381.20; 382.65]	K
Tboil	382.27	K	KDB
Tboil	Outlier 381.20	K	NIST
Tboil	382.30	K	NIST
Tboil	381.50 ± 0.50	K	NIST
Tboil	382.30	K	NIST
Tboil	382.27 ± 0.10	K	NIST
Tboil	382.25 ± 0.20	K	NIST
Tboil	382.25 ± 1.00	K	NIST
Tboil	382.55 ± 0.40	K	NIST
Tboil	382.30 ± 0.20	K	NIST
Tboil	382.35 ± 0.30	K	NIST
Tboil	382.20 ± 0.30	K	NIST
Tboil	382.45 ± 0.30	K	NIST
Tboil	382.15 ± 0.30	K	NIST
Tboil	382.30 ± 0.30	K	NIST
Tboil	382.35 ± 0.30	K	NIST
Tboil	382.60 ± 0.50	K	NIST
Tboil	382.45 ± 0.50	K	NIST
Tboil	382.25 ± 0.01	K	NIST
Tboil	382.15 ± 1.00	K	NIST
Tboil	382.35 ± 0.20	K	NIST
Tboil	382.35 ± 0.20	K	NIST
Tboil	382.25 ± 0.10	K	NIST
Tboil	382.45 ± 0.50	K	NIST
Tboil	382.45 ± 0.50	K	NIST
Tboil	382.45 ± 0.20	K	NIST
Tboil	382.45 ± 0.30	K	NIST
Tboil	382.40 ± 0.30	K	NIST
Tboil	382.45 ± 0.20	K	NIST
Tboil	382.65 ± 0.50	K	NIST
Tboil	382.35 ± 0.60	K	NIST
Tboil	382.55 ± 0.30	K	NIST
Tboil	381.55 ± 0.30	K	NIST
Tboil	381.65 ± 1.00	K	NIST
Tboil	381.55 ± 0.30	K	NIST
Tboil	381.35 ± 0.30	K	NIST
Tboil	382.35 ± 0.50	K	NIST
Tboil	381.60 ± 0.50	K	NIST
Tboil	Outlier 381.30 ± 0.50	K	NIST
Tboil	Outlier 381.30 ± 0.60	K	NIST
Tc	[544.00; 550.50]	K
Tc	550.50	K	KDB
Tc	550.00 ± 0.50	K	NIST
Tc	549.99 ± 0.40	K	NIST
Tc	550.00 ± 0.50	K	NIST
Tc	544.00 ± 8.00	K	NIST
Tfus	[179.15; 183.05]	K
Tfus	182.00	K	KDB
Tfus	182.08 ± 0.40	K	NIST
Tfus	181.94 ± 0.30	K	NIST
Tfus	181.96 ± 0.20	K	NIST
Tfus	181.66 ± 0.30	K	NIST
Tfus	181.94 ± 0.20	K	NIST
Tfus	181.66 ± 0.30	K	NIST
Tfus	181.66 ± 0.20	K	NIST
Tfus	181.74 ± 0.01	K	NIST
Tfus	181.88 ± 0.07	K	NIST
Tfus	181.89 ± 0.05	K	NIST
Tfus	181.95 ± 0.03	K	NIST
Tfus	181.66 ± 0.50	K	NIST
Tfus	182.95 ± 0.50	K	NIST
Tfus	183.05 ± 0.30	K	NIST
Tfus	180.45 ± 0.30	K	NIST
Tfus	Outlier 179.15 ± 2.00	K	NIST
Tfus	Outlier 179.15 ± 0.20	K	NIST
Tfus	182.45 ± 0.30	K	NIST
Tfus	181.85 ± 0.40	K	NIST
Ttriple	[181.96; 181.97]	K
Ttriple	181.96 ± 0.04	K	NIST
Ttriple	181.97 ± 0.02	K	NIST
Ttriple	181.96 ± 0.04	K	NIST
Vc	[0.482; 0.482]	m3/kmol
Vc	0.482	m3/kmol	KDB
Vc	0.482	m3/kmol	NIST
Zc	0.2622120		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[232.00; 307.33]	J/mol×K	[381.56; 552.64]
Cp,gas	232.00	J/mol×K	381.56	Joback Calculated Property
Cp,gas	245.80	J/mol×K	410.07	Joback Calculated Property
Cp,gas	259.09	J/mol×K	438.59	Joback Calculated Property
Cp,gas	271.88	J/mol×K	467.10	Joback Calculated Property
Cp,gas	284.17	J/mol×K	495.62	Joback Calculated Property
Cp,gas	295.99	J/mol×K	524.13	Joback Calculated Property
Cp,gas	307.33	J/mol×K	552.64	Joback Calculated Property
Cp,liquid	249.20	J/mol×K	298.15	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	[32.54; 41.10]	kJ/mol	[314.00; 382.30]
ΔvapH	41.10	kJ/mol	314.00	NIST
ΔvapH	36.90	kJ/mol	345.00	NIST
ΔvapH	32.63	kJ/mol	381.80	KDB
ΔvapH	32.54	kJ/mol	382.30	NIST
n0	1.39004		298.15	KDB
ρl	693.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[277.97; 408.36]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42275e+01
Coefficient B			-3.22571e+03
Coefficient C			-4.65690e+01
Temperature range, min.			277.97
Temperature range, max.			408.36
Pvap	1.33	kPa	277.97	Calculated Property
Pvap	3.03	kPa	292.46	Calculated Property
Pvap	6.29	kPa	306.95	Calculated Property
Pvap	12.08	kPa	321.43	Calculated Property
Pvap	21.75	kPa	335.92	Calculated Property
Pvap	37.00	kPa	350.41	Calculated Property
Pvap	59.99	kPa	364.90	Calculated Property
Pvap	93.25	kPa	379.38	Calculated Property
Pvap	139.72	kPa	393.87	Calculated Property
Pvap	202.66	kPa	408.36	Calculated Property
Pvap	[6.84e-05; 2465.94]	kPa	[182.00; 550.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.97264e+01
Coefficient B			-7.50283e+03
Coefficient C			-1.12156e+01
Coefficient D			8.24692e-06
Temperature range, min.			182.00
Temperature range, max.			550.00
Pvap	6.84e-05	kPa	182.00	Calculated Property
Pvap	0.02	kPa	222.89	Calculated Property
Pvap	0.51	kPa	263.78	Calculated Property
Pvap	5.59	kPa	304.67	Calculated Property
Pvap	31.25	kPa	345.56	Calculated Property
Pvap	113.52	kPa	386.44	Calculated Property
Pvap	309.86	kPa	427.33	Calculated Property
Pvap	696.79	kPa	468.22	Calculated Property
Pvap	1371.97	kPa	509.11	Calculated Property
Pvap	2465.94	kPa	550.00	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 2,5-dimethyl-.

Mixtures

• Carbon dioxide + Hexane, 2,5-dimethyl-

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Solubility of CO2 in branched alkanes in order to extend the PPR78 model (predictive 1978, Peng Robinson EOS with temperature-dependent kij calculated through a group contribution method) to such systems
• 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.