Chemical Properties of 1-Pentene, 2,4-dimethyl- (CAS 2213-32-3)

InChI

InChI=1S/C7H14/c1-6(2)5-7(3)4/h7H,1,5H2,2-4H3

InChI Key

LXQPBCHJNIOMQU-UHFFFAOYSA-N

Formula

C7H14

SMILES

C=C(C)CC(C)C

Molecular Weight¹

98.19

CAS

2213-32-3

Other Names

• (CH3)2CHCH2C(CH3)=CH2
• 2,4-Dimethyl-1-pentene
• 2,4-dimethylpent-1-ene

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• 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.
• I : 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	-4638.30 ± 1.70	kJ/mol	NIST
ΔfG°	84.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-77.45	kJ/mol	Joback Calculated Property
ΔfusH°	7.77	kJ/mol	Joback Calculated Property
ΔvapH°	[33.10; 33.10]	kJ/mol
ΔvapH°	33.10	kJ/mol	NIST
ΔvapH°	33.10	kJ/mol	NIST
IE	9.03 ± 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	2969.80	kPa	Joback Calculated Property
Inp	[634.00; 657.00]
Inp	645.90		NIST
Inp	636.20		NIST
Inp	645.00		NIST
Inp	646.00		NIST
Inp	647.00		NIST
Inp	645.30		NIST
Inp	646.50		NIST
Inp	637.90		NIST
Inp	639.20		NIST
Inp	646.00		NIST
Inp	646.00		NIST
Inp	640.00		NIST
Inp	638.00		NIST
Inp	639.80		NIST
Inp	638.00		NIST
Inp	639.00		NIST
Inp	639.00		NIST
Inp	636.00		NIST
Inp	638.00		NIST
Inp	640.00		NIST
Inp	641.00		NIST
Inp	636.00		NIST
Inp	637.50		NIST
Inp	634.00		NIST
Inp	646.60		NIST
Inp	Outlier 656.00		NIST
Inp	648.10		NIST
Inp	648.00		NIST
Inp	636.90		NIST
Inp	636.00		NIST
Inp	638.00		NIST
Inp	638.00		NIST
Inp	642.00		NIST
Inp	Outlier 657.00		NIST
Inp	637.00		NIST
Inp	642.00		NIST
Inp	638.00		NIST
Inp	643.00		NIST
Inp	643.00		NIST
Inp	642.00		NIST
Inp	646.00		NIST
Inp	641.00		NIST
Inp	648.00		NIST
Inp	640.00		NIST
Inp	637.00		NIST
Inp	640.00		NIST
I	734.00		NIST
Tboil	355.68	K	Joback Calculated Property
Tc	530.11	K	Joback Calculated Property
Tfus	[148.95; 149.17]	K
Tfus	149.06 ± 0.06	K	NIST
Tfus	149.06 ± 0.04	K	NIST
Tfus	149.09 ± 0.02	K	NIST
Tfus	149.17 ± 0.50	K	NIST
Tfus	148.95 ± 0.50	K	NIST
Vc	0.404	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.34; 244.42]	J/mol×K	[355.68; 530.11]
Cp,gas	180.34	J/mol×K	355.68	Joback Calculated Property
Cp,gas	192.16	J/mol×K	384.75	Joback Calculated Property
Cp,gas	203.51	J/mol×K	413.82	Joback Calculated Property
Cp,gas	214.40	J/mol×K	442.89	Joback Calculated Property
Cp,gas	224.84	J/mol×K	471.96	Joback Calculated Property
Cp,gas	234.84	J/mol×K	501.04	Joback Calculated Property
Cp,gas	244.42	J/mol×K	530.11	Joback Calculated Property
ΔvapH	[32.30; 33.20]	kJ/mol	[322.00; 336.00]
ΔvapH	33.20	kJ/mol	322.00	NIST
ΔvapH	32.30	kJ/mol	336.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[257.49; 379.38]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39574e+01
Coefficient B			-2.86746e+03
Coefficient C			-4.77230e+01
Temperature range, min.			257.49
Temperature range, max.			379.38
Pvap	1.33	kPa	257.49	Calculated Property
Pvap	3.05	kPa	271.03	Calculated Property
Pvap	6.37	kPa	284.58	Calculated Property
Pvap	12.25	kPa	298.12	Calculated Property
Pvap	22.05	kPa	311.66	Calculated Property
Pvap	37.47	kPa	325.21	Calculated Property
Pvap	60.62	kPa	338.75	Calculated Property
Pvap	93.94	kPa	352.29	Calculated Property
Pvap	140.26	kPa	365.84	Calculated Property
Pvap	202.67	kPa	379.38	Calculated Property
Pvap	[8.26; 102.53]	kPa	[289.15; 355.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.26910e+01
Coefficient B			-6.60401e+03
Coefficient C			-1.03271e+01
Coefficient D			9.35835e-06
Temperature range, min.			289.15
Temperature range, max.			355.15
Pvap	8.26	kPa	289.15	Calculated Property
Pvap	11.68	kPa	296.48	Calculated Property
Pvap	16.18	kPa	303.82	Calculated Property
Pvap	22.03	kPa	311.15	Calculated Property
Pvap	29.48	kPa	318.48	Calculated Property
Pvap	38.84	kPa	325.82	Calculated Property
Pvap	50.45	kPa	333.15	Calculated Property
Pvap	64.67	kPa	340.48	Calculated Property
Pvap	81.89	kPa	347.82	Calculated Property
Pvap	102.53	kPa	355.15	Calculated Property

Similar Compounds

Find more compounds similar to 1-Pentene, 2,4-dimethyl-.

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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