Chemical Properties of 2-Hexene, 2,5-dimethyl- (CAS 3404-78-2)

InChI

InChI=1S/C8H16/c1-7(2)5-6-8(3)4/h5,8H,6H2,1-4H3

InChI Key

VFZIUYUUQFYZBR-UHFFFAOYSA-N

Formula

C8H16

SMILES

CC(C)=CCC(C)C

Molecular Weight¹

112.21

CAS

3404-78-2

Other Names

• 2,5-Dimethyl-2-hexene
• 2,5-Dimethylhex-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).
• 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°	85.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-106.30	kJ/mol	Joback Calculated Property
ΔfusH°	11.84	kJ/mol	Joback Calculated Property
ΔvapH°	38.90	kJ/mol	NIST
log10WS	-2.78		Crippen Calculated Property
logPoct/wat	2.999		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2709.85	kPa	Joback Calculated Property
Inp	[749.50; 768.00]
Inp	762.00		NIST
Inp	750.00		NIST
Inp	Outlier 768.00		NIST
Inp	760.00		NIST
Inp	761.00		NIST
Inp	759.00		NIST
Inp	760.00		NIST
Inp	749.80		NIST
Inp	750.50		NIST
Inp	762.00		NIST
Inp	762.00		NIST
Inp	750.00		NIST
Inp	750.00		NIST
Inp	750.00		NIST
Inp	751.00		NIST
Inp	750.00		NIST
Inp	749.50		NIST
Inp	750.00		NIST
Inp	750.00		NIST
Inp	762.00		NIST
Inp	762.00		NIST
Inp	762.00		NIST
Inp	759.00		NIST
Inp	751.00		NIST
Inp	751.00		NIST
Tboil	385.65 ± 4.00	K	NIST
Tc	565.46	K	Joback Calculated Property
Tfus	145.88	K	Joback Calculated Property
Vc	0.459	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.93; 290.49]	J/mol×K	[386.04; 565.46]
Cp,gas	217.93	J/mol×K	386.04	Joback Calculated Property
Cp,gas	231.45	J/mol×K	415.94	Joback Calculated Property
Cp,gas	244.37	J/mol×K	445.85	Joback Calculated Property
Cp,gas	256.71	J/mol×K	475.75	Joback Calculated Property
Cp,gas	268.50	J/mol×K	505.65	Joback Calculated Property
Cp,gas	279.75	J/mol×K	535.55	Joback Calculated Property
Cp,gas	290.49	J/mol×K	565.46	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[281.98; 412.05]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38144e+01
Coefficient B			-2.97787e+03
Coefficient C			-6.18290e+01
Temperature range, min.			281.98
Temperature range, max.			412.05
Pvap	1.33	kPa	281.98	Calculated Property
Pvap	3.07	kPa	296.43	Calculated Property
Pvap	6.41	kPa	310.88	Calculated Property
Pvap	12.35	kPa	325.34	Calculated Property
Pvap	22.22	kPa	339.79	Calculated Property
Pvap	37.73	kPa	354.24	Calculated Property
Pvap	60.96	kPa	368.69	Calculated Property
Pvap	94.32	kPa	383.15	Calculated Property
Pvap	140.55	kPa	397.60	Calculated Property
Pvap	202.66	kPa	412.05	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hexene, 2,5-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• KDB
• 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.