Chemical Properties of 2-Pentene, 2,3,4-trimethyl- (CAS 565-77-5)

InChI

InChI=1S/C8H16/c1-6(2)8(5)7(3)4/h6H,1-5H3

InChI Key

SZFRZEBLZFTODC-UHFFFAOYSA-N

Formula

C8H16

SMILES

CC(C)=C(C)C(C)C

Molecular Weight¹

112.21

CAS

565-77-5

Other Names

• (CH3)2CHC(CH3)=C(CH3)2
• 2,3,4-Trimethyl-2-pentene
• 2,3,4-Trimethylpent-2-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).
• 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
ΔfG°	77.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-116.09	kJ/mol	Joback Calculated Property
ΔfusH°	10.54	kJ/mol	Joback Calculated Property
ΔvapH°	39.30	kJ/mol	NIST
IE	8.16 ± 0.01	eV	NIST
log10WS	-2.78		Crippen Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2724.01	kPa	Joback Calculated Property
Inp	[764.80; 780.00]
Inp	779.50		NIST
Inp	764.80		NIST
Inp	773.00		NIST
Inp	774.00		NIST
Inp	776.00		NIST
Inp	773.50		NIST
Inp	774.80		NIST
Inp	765.70		NIST
Inp	767.00		NIST
Inp	767.00		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	767.00		NIST
Inp	766.00		NIST
Inp	765.50		NIST
Inp	766.00		NIST
Inp	766.00		NIST
Inp	780.00		NIST
Inp	780.00		NIST
Inp	773.00		NIST
Inp	779.50		NIST
Inp	773.50		NIST
Inp	766.00		NIST
Tboil	[387.00; 389.70]	K
Tboil	389.70	K	NIST
Tboil	389.35 ± 0.40	K	NIST
Tboil	389.65 ± 0.30	K	NIST
Tboil	389.55 ± 0.50	K	NIST
Tboil	387.00 ± 6.00	K	NIST
Tc	568.97	K	Joback Calculated Property
Tfus	159.77 ± 0.10	K	NIST
Vc	0.460	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.91; 291.57]	J/mol×K	[385.92; 568.97]
Cp,gas	217.91	J/mol×K	385.92	Joback Calculated Property
Cp,gas	231.67	J/mol×K	416.43	Joback Calculated Property
Cp,gas	244.80	J/mol×K	446.94	Joback Calculated Property
Cp,gas	257.34	J/mol×K	477.45	Joback Calculated Property
Cp,gas	269.30	J/mol×K	507.96	Joback Calculated Property
Cp,gas	280.70	J/mol×K	538.47	Joback Calculated Property
Cp,gas	291.57	J/mol×K	568.97	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[283.34; 416.81]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37872e+01
Coefficient B			-3.03972e+03
Coefficient C			-5.81740e+01
Temperature range, min.			283.34
Temperature range, max.			416.81
Pvap	1.33	kPa	283.34	Calculated Property
Pvap	3.07	kPa	298.17	Calculated Property
Pvap	6.41	kPa	313.00	Calculated Property
Pvap	12.36	kPa	327.83	Calculated Property
Pvap	22.25	kPa	342.66	Calculated Property
Pvap	37.77	kPa	357.49	Calculated Property
Pvap	61.01	kPa	372.32	Calculated Property
Pvap	94.37	kPa	387.15	Calculated Property
Pvap	140.58	kPa	401.98	Calculated Property
Pvap	202.64	kPa	416.81	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentene, 2,3,4-trimethyl-.

Sources

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

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