Chemical Properties of 2,3-Dimethyl-1-hexene (CAS 16746-86-4)

InChI

InChI=1S/C8H16/c1-5-6-8(4)7(2)3/h8H,2,5-6H2,1,3-4H3

InChI Key

LVLXQRZPKUFJJQ-UHFFFAOYSA-N

Formula

C8H16

SMILES

C=C(C)C(C)CCC

Molecular Weight¹

112.21

CAS

16746-86-4

Other Names

• 1-Hexene, 2,3-dimethyl-
• 2,3-Dimethylhex-1-ene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : 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).
• 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).
• I_np : Non-polar retention indices.
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	93.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-98.09	kJ/mol	Joback Calculated Property
ΔfusH°	10.36	kJ/mol	Joback Calculated Property
ΔvapH°	38.50	kJ/mol	NIST
log10WS	-2.78		Crippen Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2681.86	kPa	Joback Calculated Property
Inp	[737.50; 751.00]
Inp	746.70		NIST
Inp	737.50		NIST
Inp	748.00		NIST
Inp	749.00		NIST
Inp	751.00		NIST
Inp	748.80		NIST
Inp	750.00		NIST
Inp	739.10		NIST
Inp	740.60		NIST
Inp	747.00		NIST
Inp	747.00		NIST
Inp	739.00		NIST
Inp	741.00		NIST
Inp	739.00		NIST
Inp	741.00		NIST
Inp	741.00		NIST
Inp	739.00		NIST
Inp	748.00		NIST
Inp	747.00		NIST
Inp	747.00		NIST
Inp	751.00		NIST
Inp	741.00		NIST
Inp	739.00		NIST
Inp	746.70		NIST
Inp	748.80		NIST
Inp	747.00		NIST
Inp	741.00		NIST
Tboil	[383.69; 383.69]	K
Tboil	383.69 ± 0.60	K	NIST
Tboil	383.69 ± 0.40	K	NIST
Tboil	383.69 ± 0.20	K	NIST
Tc	552.61	K	Joback Calculated Property
Tfus	149.20	K	Joback Calculated Property
Vc	0.460	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.59; 288.55]	J/mol×K	[378.56; 552.61]
Cp,gas	217.59	J/mol×K	378.56	Joback Calculated Property
Cp,gas	230.69	J/mol×K	407.57	Joback Calculated Property
Cp,gas	243.26	J/mol×K	436.58	Joback Calculated Property
Cp,gas	255.31	J/mol×K	465.59	Joback Calculated Property
Cp,gas	266.87	J/mol×K	494.59	Joback Calculated Property
Cp,gas	277.94	J/mol×K	523.60	Joback Calculated Property
Cp,gas	288.55	J/mol×K	552.61	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[280.08; 423.07]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.31705e+01
Coefficient B			-2.88169e+03
Coefficient C			-5.64010e+01
Temperature range, min.			280.08
Temperature range, max.			423.07
Pvap	1.33	kPa	280.08	Calculated Property
Pvap	3.13	kPa	295.97	Calculated Property
Pvap	6.62	kPa	311.86	Calculated Property
Pvap	12.81	kPa	327.74	Calculated Property
Pvap	23.05	kPa	343.63	Calculated Property
Pvap	39.01	kPa	359.52	Calculated Property
Pvap	62.63	kPa	375.41	Calculated Property
Pvap	96.14	kPa	391.29	Calculated Property
Pvap	141.95	kPa	407.18	Calculated Property
Pvap	202.64	kPa	423.07	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Dimethyl-1-hexene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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