Chemical Properties of 3-Hexene, 2,2-dimethyl-, (E)- (CAS 690-93-7)

InChI

InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h6-7H,5H2,1-4H3/b7-6+

InChI Key

JPLZSSHKQZJYTJ-VOTSOKGWSA-N

Formula

C8H16

SMILES

CCC=CC(C)(C)C

Molecular Weight¹

112.21

CAS

690-93-7

Other Names

• (E)-2,2-DIMETHYL-3-HEXENE
• (E)-2,2-Dimethylhex-3-ene
• 2,2-DIMETHYL-TRANS-3-HEXENE
• TRANS-2,2-DIMETHYL-3-HEXENE

• 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_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).
• 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
ΔcH°liquid	[-5289.70; -5267.00]	kJ/mol
ΔcH°liquid	-5276.90 ± 2.00	kJ/mol	NIST
ΔcH°liquid	-5267.00 ± 1.40	kJ/mol	NIST
ΔcH°liquid	-5289.70 ± 1.20	kJ/mol	NIST
ΔfG°	99.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-118.00	kJ/mol	NIST
ΔfH°liquid	-157.80 ± 2.00	kJ/mol	NIST
ΔfusH°	9.26	kJ/mol	Joback Calculated Property
ΔvapH°	[37.20; 37.20]	kJ/mol
ΔvapH°	37.20	kJ/mol	NIST
ΔvapH°	37.20	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	2726.86	kPa	Joback Calculated Property
Inp	[692.00; 710.50]
Inp	710.50		NIST
Inp	693.20		NIST
Inp	693.00		NIST
Inp	692.00		NIST
Inp	694.00		NIST
Inp	693.00		NIST
Inp	693.00		NIST
Inp	709.00		NIST
Inp	710.00		NIST
Inp	710.00		NIST
Tboil	[374.00; 374.65]	K
Tboil	374.00	K	NIST
Tboil	374.18 ± 0.30	K	NIST
Tboil	374.18 ± 0.30	K	NIST
Tboil	374.05 ± 0.60	K	NIST
Tboil	374.65 ± 1.50	K	NIST
Tc	566.77	K	Joback Calculated Property
Tfus	177.26	K	Joback Calculated Property
Vc	0.453	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.13; 295.30]	J/mol×K	[383.37; 566.77]
Cp,gas	219.13	J/mol×K	383.37	Joback Calculated Property
Cp,gas	233.64	J/mol×K	413.94	Joback Calculated Property
Cp,gas	247.38	J/mol×K	444.50	Joback Calculated Property
Cp,gas	260.39	J/mol×K	475.07	Joback Calculated Property
Cp,gas	272.68	J/mol×K	505.64	Joback Calculated Property
Cp,gas	284.31	J/mol×K	536.21	Joback Calculated Property
Cp,gas	295.30	J/mol×K	566.77	Joback Calculated Property
η	[0.0002263; 0.0110015]	Pa×s	[177.26; 383.37]
η	0.0110015	Pa×s	177.26	Joback Calculated Property
η	0.0034054	Pa×s	211.61	Joback Calculated Property
η	0.0014626	Pa×s	245.96	Joback Calculated Property
η	0.0007728	Pa×s	280.31	Joback Calculated Property
η	0.0004693	Pa×s	314.67	Joback Calculated Property
η	0.0003144	Pa×s	349.02	Joback Calculated Property
η	0.0002263	Pa×s	383.37	Joback Calculated Property
ΔvapH	[36.10; 36.30]	kJ/mol	[338.50; 342.50]
ΔvapH	36.30	kJ/mol	338.50	NIST
ΔvapH	36.10	kJ/mol	342.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[273.07; 399.90]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.36354e+01
Coefficient B			-2.80501e+03
Coefficient C			-6.29230e+01
Temperature range, min.			273.07
Temperature range, max.			399.90
Pvap	1.33	kPa	273.07	Calculated Property
Pvap	3.08	kPa	287.16	Calculated Property
Pvap	6.46	kPa	301.25	Calculated Property
Pvap	12.47	kPa	315.35	Calculated Property
Pvap	22.44	kPa	329.44	Calculated Property
Pvap	38.06	kPa	343.53	Calculated Property
Pvap	61.39	kPa	357.62	Calculated Property
Pvap	94.79	kPa	371.72	Calculated Property
Pvap	140.90	kPa	385.81	Calculated Property
Pvap	202.63	kPa	399.90	Calculated Property
Pvap	[6.72; 101.64]	kPa	[302.15; 374.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.02382e+02
Coefficient B			-7.85307e+03
Coefficient C			-1.32200e+01
Coefficient D			1.10860e-05
Temperature range, min.			302.15
Temperature range, max.			374.15
Pvap	6.72	kPa	302.15	Calculated Property
Pvap	9.82	kPa	310.15	Calculated Property
Pvap	14.02	kPa	318.15	Calculated Property
Pvap	19.59	kPa	326.15	Calculated Property
Pvap	26.83	kPa	334.15	Calculated Property
Pvap	36.10	kPa	342.15	Calculated Property
Pvap	47.77	kPa	350.15	Calculated Property
Pvap	62.28	kPa	358.15	Calculated Property
Pvap	80.07	kPa	366.15	Calculated Property
Pvap	101.64	kPa	374.15	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexene, 2,2-dimethyl-, (E)-.

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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