Chemical Properties of 2-Pentene, 4,4-dimethyl-, (E)- (CAS 690-08-4)

InChI

InChI=1S/C7H14/c1-5-6-7(2,3)4/h5-6H,1-4H3/b6-5+

InChI Key

BIDIHFPLDRSAMB-AATRIKPKSA-N

Formula

C7H14

SMILES

CC=CC(C)(C)C

Molecular Weight¹

98.19

CAS

690-08-4

Other Names

• (E)-(CH3)3CCH=CHCH3
• (E)-4,4-DIMETHYL-2-PENETENE
• (E)-4,4-Dimethyl-2-pentene
• (E)-4,4-dimethylpent-2-ene
• 4,4-DIMETHYL-TRANS-2-PENTENE
• 4,4-Dimethyl-(E)-2-pentene
• 4,4-Dimethyl-2-pentene, trans
• TRANS-4,4-DIMETHYL-2-PENTENE

• 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_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).
• 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	-4633.61 ± 0.84	kJ/mol	NIST
ΔfG°	91.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-79.34	kJ/mol	Joback Calculated Property
ΔfusH°	6.67	kJ/mol	Joback Calculated Property
ΔvapH°	[32.80; 32.80]	kJ/mol
ΔvapH°	32.80	kJ/mol	NIST
ΔvapH°	32.80	kJ/mol	NIST
IE	8.91 ± 0.01	eV	NIST
log10WS	-2.36		Crippen Calculated Property
logPoct/wat	2.609		Crippen Calculated Property
McVol	105.190	ml/mol	McGowan Calculated Property
Pc	3022.28	kPa	Joback Calculated Property
Inp	[611.00; 625.90]
Inp	625.50		NIST
Inp	614.80		NIST
Inp	622.00		NIST
Inp	621.00		NIST
Inp	621.00		NIST
Inp	621.30		NIST
Inp	621.20		NIST
Inp	614.70		NIST
Inp	614.70		NIST
Inp	625.00		NIST
Inp	625.00		NIST
Inp	615.00		NIST
Inp	617.00		NIST
Inp	615.00		NIST
Inp	615.00		NIST
Inp	617.00		NIST
Inp	615.00		NIST
Inp	615.00		NIST
Inp	615.00		NIST
Inp	615.00		NIST
Inp	614.50		NIST
Inp	615.00		NIST
Inp	617.00		NIST
Inp	623.10		NIST
Inp	625.90		NIST
Inp	614.80		NIST
Inp	614.00		NIST
Inp	615.00		NIST
Inp	616.00		NIST
Inp	611.00		NIST
Inp	622.00		NIST
Inp	622.00		NIST
Inp	620.00		NIST
Inp	615.00		NIST
Inp	615.00		NIST
Inp	623.10		NIST
Inp	615.00		NIST
Inp	625.90		NIST
Tboil	[349.20; 350.00]	K
Tboil	349.90	K	NIST
Tboil	349.90 ± 0.20	K	NIST
Tboil	349.89 ± 0.30	K	NIST
Tboil	349.88 ± 0.30	K	NIST
Tboil	349.88 ± 0.30	K	NIST
Tboil	350.00 ± 0.50	K	NIST
Tboil	349.20 ± 1.00	K	NIST
Tboil	349.20 ± 0.50	K	NIST
Tc	544.64	K	Joback Calculated Property
Tfus	[157.82; 157.91]	K
Tfus	157.84 ± 0.20	K	NIST
Tfus	157.88 ± 0.06	K	NIST
Tfus	157.91 ± 0.02	K	NIST
Tfus	157.82 ± 0.40	K	NIST
Vc	0.397	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.91; 250.78]	J/mol×K	[360.49; 544.64]
Cp,gas	180.91	J/mol×K	360.49	Joback Calculated Property
Cp,gas	194.27	J/mol×K	391.18	Joback Calculated Property
Cp,gas	206.90	J/mol×K	421.87	Joback Calculated Property
Cp,gas	218.84	J/mol×K	452.57	Joback Calculated Property
Cp,gas	230.11	J/mol×K	483.26	Joback Calculated Property
Cp,gas	240.74	J/mol×K	513.95	Joback Calculated Property
Cp,gas	250.78	J/mol×K	544.64	Joback Calculated Property
η	[0.0002301; 0.0108776]	Pa×s	[165.99; 360.49]
η	0.0108776	Pa×s	165.99	Joback Calculated Property
η	0.0033838	Pa×s	198.41	Joback Calculated Property
η	0.0014612	Pa×s	230.82	Joback Calculated Property
η	0.0007760	Pa×s	263.24	Joback Calculated Property
η	0.0004734	Pa×s	295.66	Joback Calculated Property
η	0.0003185	Pa×s	328.07	Joback Calculated Property
η	0.0002301	Pa×s	360.49	Joback Calculated Property
ΔvapH	[32.80; 33.00]	kJ/mol	[319.50; 323.50]
ΔvapH	33.00	kJ/mol	319.50	NIST
ΔvapH	32.80	kJ/mol	323.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[253.55; 374.32]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.36860e+01
Coefficient B			-2.69730e+03
Coefficient C			-5.22350e+01
Temperature range, min.			253.55
Temperature range, max.			374.32
Pvap	1.33	kPa	253.55	Calculated Property
Pvap	3.08	kPa	266.97	Calculated Property
Pvap	6.45	kPa	280.39	Calculated Property
Pvap	12.43	kPa	293.81	Calculated Property
Pvap	22.37	kPa	307.23	Calculated Property
Pvap	37.97	kPa	320.64	Calculated Property
Pvap	61.27	kPa	334.06	Calculated Property
Pvap	94.65	kPa	347.48	Calculated Property
Pvap	140.80	kPa	360.90	Calculated Property
Pvap	202.64	kPa	374.32	Calculated Property
Pvap	[9.24; 103.20]	kPa	[288.15; 350.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.75118e+01
Coefficient B			-6.38190e+03
Coefficient C			-9.51062e+00
Coefficient D			8.70909e-06
Temperature range, min.			288.15
Temperature range, max.			350.15
Pvap	9.24	kPa	288.15	Calculated Property
Pvap	12.82	kPa	295.04	Calculated Property
Pvap	17.48	kPa	301.93	Calculated Property
Pvap	23.45	kPa	308.82	Calculated Property
Pvap	30.98	kPa	315.71	Calculated Property
Pvap	40.36	kPa	322.59	Calculated Property
Pvap	51.92	kPa	329.48	Calculated Property
Pvap	65.99	kPa	336.37	Calculated Property
Pvap	82.95	kPa	343.26	Calculated Property
Pvap	103.20	kPa	350.15	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentene, 4,4-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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