Chemical Properties of 1,5-Hexadiene, 2-methyl- (CAS 4049-81-4)

InChI

InChI=1S/C7H12/c1-4-5-6-7(2)3/h4H,1-2,5-6H2,3H3

InChI Key

SLQMKNPIYMOEGB-UHFFFAOYSA-N

Formula

C7H12

SMILES

C=CCCC(=C)C

Molecular Weight¹

96.17

CAS

4049-81-4

Other Names

• 2-METHYLDIALLYL
• 2-Methyl-1,5-hexadiene
• 2-methylhexa-1,5-diene
• 5-METHYLDIALLYL
• CH2=C(CH3)CH2CH2CH=CH2

• 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°	175.19	kJ/mol	Joback Calculated Property
ΔfH°gas	53.26	kJ/mol	Joback Calculated Property
ΔfusH°	10.02	kJ/mol	Joback Calculated Property
ΔvapH°	29.92	kJ/mol	Joback Calculated Property
log10WS	-2.46		Crippen Calculated Property
logPoct/wat	2.529		Crippen Calculated Property
McVol	100.890	ml/mol	McGowan Calculated Property
Pc	3082.99	kPa	Joback Calculated Property
Inp	[661.00; 671.00]
Inp	662.10		NIST
Inp	666.70		NIST
Inp	668.70		NIST
Inp	668.70		NIST
Inp	661.00		NIST
Inp	661.00		NIST
Inp	663.00		NIST
Inp	663.00		NIST
Inp	669.00		NIST
Inp	665.00		NIST
Inp	671.00		NIST
Inp	662.10		NIST
Inp	661.00		NIST
Inp	669.00		NIST
Inp	665.00		NIST
Inp	671.00		NIST
Tboil	[360.00; 362.00]	K
Tboil	360.00 ± 4.00	K	NIST
Tboil	362.00 ± 0.15	K	NIST
Tboil	361.25 ± 0.50	K	NIST
Tc	526.72	K	Joback Calculated Property
Tfus	144.27 ± 0.30	K	NIST
Vc	0.391	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[167.02; 225.51]	J/mol×K	[352.80; 526.72]
Cp,gas	167.02	J/mol×K	352.80	Joback Calculated Property
Cp,gas	177.89	J/mol×K	381.79	Joback Calculated Property
Cp,gas	188.29	J/mol×K	410.77	Joback Calculated Property
Cp,gas	198.24	J/mol×K	439.76	Joback Calculated Property
Cp,gas	207.75	J/mol×K	468.74	Joback Calculated Property
Cp,gas	216.83	J/mol×K	497.73	Joback Calculated Property
Cp,gas	225.51	J/mol×K	526.72	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[270.50; 381.26]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.56955e+01
Coefficient B			-3.52720e+03
Coefficient C			-4.15770e+01
Temperature range, min.			270.50
Temperature range, max.			381.26
Pvap	1.33	kPa	270.50	Calculated Property
Pvap	2.93	kPa	282.81	Calculated Property
Pvap	5.95	kPa	295.11	Calculated Property
Pvap	11.33	kPa	307.42	Calculated Property
Pvap	20.38	kPa	319.73	Calculated Property
Pvap	34.88	kPa	332.03	Calculated Property
Pvap	57.13	kPa	344.34	Calculated Property
Pvap	90.06	kPa	356.65	Calculated Property
Pvap	137.18	kPa	368.95	Calculated Property
Pvap	202.68	kPa	381.26	Calculated Property

Similar Compounds

Find more compounds similar to 1,5-Hexadiene, 2-methyl-.

Sources

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

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