Chemical Properties of 2-Pentene, 4,4-dimethyl-, (Z)- (CAS 762-63-0)

InChI

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

InChI Key

BIDIHFPLDRSAMB-WAYWQWQTSA-N

Formula

C7H14

SMILES

C/C=C\C(C)(C)C

Molecular Weight¹

98.19

CAS

762-63-0

Other Names

• (Z)-(CH3)3CCH=CHCH3
• (Z)-4,4-Dimethyl-2-pentene
• (Z)-4,4-dimethylpent-2-ene
• 4,4-Dimethyl-cis-2-pentene
• cis-4,4-Dimethyl-2-Pentene
• cis-1,1,1-Trimethyl-2-butene

• ω : Acentric Factor.
• 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).
• 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
ω	0.2454		Relay (1.0) Calculated Property
ΔcH°liquid	-4650.10 ± 1.20	kJ/mol	NIST
ΔfG°	91.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-77.67	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.67	kJ/mol	Joback Calculated Property
ΔvapH°	[32.60; 32.60]	kJ/mol
ΔvapH°	32.60	kJ/mol	NIST
ΔvapH°	32.60	kJ/mol	NIST
IE	8.92 ± 0.01	eV	NIST
logPoct/wat	2.609		Crippen Calculated Property
McVol	105.190	ml/mol	McGowan Calculated Property
Pc	3022.28	kPa	Joback Calculated Property
Inp	[629.00; 648.00]
Inp	638.00		NIST
Inp	638.00		NIST
Inp	642.00		NIST
Inp	633.30		NIST
Inp	644.00		NIST
Inp	646.00		NIST
Inp	648.00		NIST
Inp	645.10		NIST
Inp	646.90		NIST
Inp	635.80		NIST
Inp	637.80		NIST
Inp	643.00		NIST
Inp	643.00		NIST
Inp	635.80		NIST
Inp	638.10		NIST
Inp	639.00		NIST
Inp	636.00		NIST
Inp	636.00		NIST
Inp	638.00		NIST
Inp	637.00		NIST
Inp	633.00		NIST
Inp	636.00		NIST
Inp	638.00		NIST
Inp	640.00		NIST
Inp	Outlier 629.00		NIST
Inp	642.80		NIST
Inp	644.90		NIST
Inp	634.30		NIST
Inp	636.00		NIST
Inp	643.00		NIST
Inp	639.00		NIST
Inp	645.00		NIST
Inp	642.80		NIST
Inp	634.30		NIST
Inp	642.00		NIST
Inp	645.10		NIST
Inp	643.00		NIST
Inp	636.00		NIST
Inp	644.90		NIST
Tboil	[349.90; 353.63]	K
Tboil	353.60	K	NIST
Tboil	Outlier 349.90 ± 0.30	K	NIST
Tboil	353.58 ± 0.30	K	NIST
Tboil	353.15 ± 1.00	K	NIST
Tboil	351.97 ± 0.20	K	NIST
Tboil	353.62 ± 0.30	K	NIST
Tboil	353.63 ± 0.30	K	NIST
Tc	510.00	K	Relay (1.0) Calculated Property
Tfus	[137.41; 137.69]	K
Tfus	137.63 ± 0.09	K	NIST
Tfus	137.64 ± 0.06	K	NIST
Tfus	137.69 ± 0.04	K	NIST
Tfus	137.41 ± 0.30	K	NIST
Tfus	137.64 ± 0.06	K	NIST
Tfus	137.69 ± 0.03	K	NIST
Tfus	137.45 ± 0.30	K	NIST
Vc	0.384	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[32.20; 32.60]	kJ/mol	[322.50; 329.00]
ΔvapH	32.60	kJ/mol	322.50	NIST
ΔvapH	32.20	kJ/mol	329.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.52; 351.35]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.21300e+01
Coefficient B			8.14680e-01
Coefficient C			-6.12600e-04
Coefficient D			1.91400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.52	J/mol×K	273.00	Calculated Property
Cp,gas	177.89	J/mol×K	353.78	Calculated Property
Cp,gas	211.92	J/mol×K	434.56	Calculated Property
Cp,gas	241.21	J/mol×K	515.33	Calculated Property
Cp,gas	266.37	J/mol×K	596.11	Calculated Property
Cp,gas	288.00	J/mol×K	676.89	Calculated Property
Cp,gas	306.71	J/mol×K	757.67	Calculated Property
Cp,gas	323.10	J/mol×K	838.44	Calculated Property
Cp,gas	337.78	J/mol×K	919.22	Calculated Property
Cp,gas	351.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0475487; 0.0001920]	Pa×s	[137.59; 381.46]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.16681e+01
Coefficient B			1.18634e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			137.59
Temperature range, max.			381.46
η	0.0475487	Pa×s	137.59	Calculated Property
η	0.0115093	Pa×s	164.69	Calculated Property
η	0.0041596	Pa×s	191.79	Calculated Property
η	0.0019341	Pa×s	218.88	Calculated Property
η	0.0010646	Pa×s	245.98	Calculated Property
η	0.0006597	Pa×s	273.07	Calculated Property
η	0.0004457	Pa×s	300.17	Calculated Property
η	0.0003213	Pa×s	327.27	Calculated Property
η	0.0002435	Pa×s	354.36	Calculated Property
η	0.0001920	Pa×s	381.46	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[255.43; 377.81]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38487e+01
Coefficient B			-2.82013e+03
Coefficient C			-4.74730e+01
Temperature range, min.			255.43
Temperature range, max.			377.81
Pvap	1.33	kPa	255.43	Calculated Property
Pvap	3.06	kPa	269.03	Calculated Property
Pvap	6.40	kPa	282.63	Calculated Property
Pvap	12.32	kPa	296.22	Calculated Property
Pvap	22.18	kPa	309.82	Calculated Property
Pvap	37.67	kPa	323.42	Calculated Property
Pvap	60.87	kPa	337.02	Calculated Property
Pvap	94.23	kPa	350.61	Calculated Property
Pvap	140.48	kPa	364.21	Calculated Property
Pvap	202.67	kPa	377.81	Calculated Property
Pvap	[9.29; 100.03]	kPa	[290.15; 353.15]	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			8.29744e+01
Coefficient B			-6.56350e+03
Coefficient C			-1.03910e+01
Coefficient D			9.45622e-06
Coefficient E			0.00000e+00
Temperature range, min.			290.15
Temperature range, max.			353.15
Pvap	9.29	kPa	290.15	Calculated Property
Pvap	12.84	kPa	297.15	Calculated Property
Pvap	17.44	kPa	304.15	Calculated Property
Pvap	23.30	kPa	311.15	Calculated Property
Pvap	30.67	kPa	318.15	Calculated Property
Pvap	39.80	kPa	325.15	Calculated Property
Pvap	50.98	kPa	332.15	Calculated Property
Pvap	64.52	kPa	339.15	Calculated Property
Pvap	80.75	kPa	346.15	Calculated Property
Pvap	100.03	kPa	353.15	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentene, 4,4-dimethyl-, (Z)-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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