Chemical Properties of 2,4-Hexadiene, (E,E)- (CAS 5194-51-4)

InChI

InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3+,6-4+

InChI Key

APPOKADJQUIAHP-GGWOSOGESA-N

Formula

C6H10

SMILES

CC=CC=CC

Molecular Weight¹

82.14

CAS

5194-51-4

Other Names

• (E),(E)-CH3CH=CHCH=CHCH3
• (E,E)-2,4-HEXADIENE
• trans,trans-2,4-Hexadiene
• trans,trans-hexa-2,4-diene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• 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
ω	0.2406		Relay (1.0) Calculated Property
ΔfG°	160.08	kJ/mol	Joback Calculated Property
ΔfH°gas	44.00 ± 2.00	kJ/mol	NIST
ΔfusH°	11.70	kJ/mol	Joback Calculated Property
ΔvapH°	33.54	kJ/mol	Relay (1.0) Calculated Property
IE	[8.09; 8.93]	eV
IE	8.26 ± 0.05	eV	NIST
IE	8.22 ± 0.02	eV	NIST
IE	8.09	eV	NIST
IE	8.19	eV	NIST
IE	8.93	eV	NIST
log10WS	-3.00		Relay (1.0) Calculated Property
logPoct/wat	2.139		Crippen Calculated Property
McVol	86.800	ml/mol	McGowan Calculated Property
Pc	3501.28	kPa	Joback Calculated Property
Inp	[645.00; 662.00]
Inp	645.00		NIST
Inp	662.00		NIST
Inp	662.00		NIST
Inp	645.00		NIST
Inp	646.00		NIST
Inp	647.00		NIST
Inp	648.00		NIST
Inp	654.00		NIST
Inp	654.00		NIST
Tboil	[355.00; 355.40]	K
Tboil	355.00	K	NIST
Tboil	355.40	K	NIST
Tboil	355.33 ± 0.40	K	NIST
Tc	524.92	K	Relay (1.0) Calculated Property
Tfus	228.30 ± 0.40	K	NIST
Vc	0.327	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[33.20; 33.20]	kJ/mol	[314.00; 329.00]
ΔvapH	33.20	kJ/mol	314.00	NIST
ΔvapH	33.20	kJ/mol	329.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[104.76; 267.71]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.09300e+01
Coefficient B			6.13840e-01
Coefficient C			-4.70200e-04
Coefficient D			1.55000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	104.76	J/mol×K	273.00	Calculated Property
Cp,gas	134.25	J/mol×K	353.78	Calculated Property
Cp,gas	159.75	J/mol×K	434.56	Calculated Property
Cp,gas	181.74	J/mol×K	515.33	Calculated Property
Cp,gas	200.74	J/mol×K	596.11	Calculated Property
Cp,gas	217.21	J/mol×K	676.89	Calculated Property
Cp,gas	231.65	J/mol×K	757.67	Calculated Property
Cp,gas	244.55	J/mol×K	838.44	Calculated Property
Cp,gas	256.41	J/mol×K	919.22	Calculated Property
Cp,gas	267.71	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0005140; 0.0001289]	Pa×s	[228.30; 369.12]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.11995e+01
Coefficient B			8.27880e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			228.30
Temperature range, max.			369.12
η	0.0005140	Pa×s	228.30	Calculated Property
η	0.0004074	Pa×s	243.95	Calculated Property
η	0.0003320	Pa×s	259.59	Calculated Property
η	0.0002770	Pa×s	275.24	Calculated Property
η	0.0002356	Pa×s	290.89	Calculated Property
η	0.0002037	Pa×s	306.53	Calculated Property
η	0.0001787	Pa×s	322.18	Calculated Property
η	0.0001586	Pa×s	337.83	Calculated Property
η	0.0001423	Pa×s	353.47	Calculated Property
η	0.0001289	Pa×s	369.12	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.12; 3355.22]	kPa	[228.25; 535.00]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			9.03894e+01
Coefficient B			-7.05737e+03
Coefficient C			-1.14257e+01
Coefficient D			9.43039e-06
Coefficient E			0.00000e+00
Temperature range, min.			228.25
Temperature range, max.			535.00
Pvap	0.12	kPa	228.25	Calculated Property
Pvap	1.65	kPa	262.33	Calculated Property
Pvap	10.77	kPa	296.42	Calculated Property
Pvap	44.26	kPa	330.50	Calculated Property
Pvap	132.74	kPa	364.58	Calculated Property
Pvap	319.75	kPa	398.67	Calculated Property
Pvap	659.66	kPa	432.75	Calculated Property
Pvap	1218.43	kPa	466.83	Calculated Property
Pvap	2079.45	kPa	500.92	Calculated Property
Pvap	3355.22	kPa	535.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Hexadiene, (E,E)-.

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook

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