Chemical Properties of 2-Pentene, 3,4,4-trimethyl- (CAS 598-96-9)

InChI

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

InChI Key

FZQMZRXKWHQJAG-UHFFFAOYSA-N

Formula

C8H16

SMILES

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

Molecular Weight¹

112.21

CAS

598-96-9

Other Names

• 3,4,4-Trimethyl-2-pentene
• 3,4,4-Trimethylpentene-2
• 3,4,4-trimethylpent-2-ene
• NSC 73944

• 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).
• 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°	90.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-109.77	kJ/mol	Joback Calculated Property
ΔfusH°	7.95	kJ/mol	Joback Calculated Property
ΔvapH°	32.14	kJ/mol	Joback Calculated Property
log10WS	-2.78		Crippen Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2741.15	kPa	Joback Calculated Property
Inp	[745.50; 752.00]
Inp	752.00		NIST
Inp	752.00		NIST
Inp	751.00		NIST
Inp	752.00		NIST
Inp	745.50		NIST
Inp	746.50		NIST
Inp	752.00		NIST
Inp	746.50		NIST
Tboil	[381.40; 385.60]	K
Tboil	385.15 ± 0.20	K	NIST
Tboil	385.24 ± 0.20	K	NIST
Tboil	385.10 ± 1.00	K	NIST
Tboil	385.00 ± 4.00	K	NIST
Tboil	Outlier 381.40 ± 7.00	K	NIST
Tboil	385.40 ± 0.40	K	NIST
Tboil	385.20 ± 0.40	K	NIST
Tboil	385.60 ± 1.00	K	NIST
Tboil	383.00 ± 4.00	K	NIST
Tboil	384.50 ± 1.00	K	NIST
Tboil	385.00 ± 7.00	K	NIST
Tboil	385.10 ± 1.00	K	NIST
Tboil	385.10 ± 1.00	K	NIST
Tc	570.42	K	Joback Calculated Property
Tfus	163.30	K	Joback Calculated Property
Vc	0.454	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[219.11; 296.41]	J/mol×K	[383.25; 570.42]
Cp,gas	219.11	J/mol×K	383.25	Joback Calculated Property
Cp,gas	233.89	J/mol×K	414.44	Joback Calculated Property
Cp,gas	247.86	J/mol×K	445.64	Joback Calculated Property
Cp,gas	261.06	J/mol×K	476.83	Joback Calculated Property
Cp,gas	273.52	J/mol×K	508.03	Joback Calculated Property
Cp,gas	285.30	J/mol×K	539.22	Joback Calculated Property
Cp,gas	296.41	J/mol×K	570.42	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[285.62; 420.39]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41614e+01
Coefficient B			-3.29361e+03
Coefficient C			-4.82220e+01
Temperature range, min.			285.62
Temperature range, max.			420.39
Pvap	1.33	kPa	285.62	Calculated Property
Pvap	3.04	kPa	300.59	Calculated Property
Pvap	6.31	kPa	315.57	Calculated Property
Pvap	12.12	kPa	330.54	Calculated Property
Pvap	21.82	kPa	345.52	Calculated Property
Pvap	37.12	kPa	360.49	Calculated Property
Pvap	60.14	kPa	375.47	Calculated Property
Pvap	93.42	kPa	390.44	Calculated Property
Pvap	139.85	kPa	405.42	Calculated Property
Pvap	202.67	kPa	420.39	Calculated Property

Similar Compounds

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

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.