Chemical Properties of 2,4-Hexadiene, (E,Z)- (CAS 5194-50-3)

InChI

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

InChI Key

APPOKADJQUIAHP-CIIODKQPSA-N

Formula

C6H10

SMILES

CC=CC=CC

Molecular Weight¹

82.14

CAS

5194-50-3

Other Names

• (E),(Z)-CH3CH=CHCH=CHCH3
• (E,Z)-2,4-Hexadiene
• (Z,E)-2,4-Hexadiene
• cis,trans-2,4-Hexadiene
• cis,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).
• 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	48.00 ± 2.00	kJ/mol	NIST
ΔfusH°	11.70	kJ/mol	Joback Calculated Property
ΔvapH°	33.54	kJ/mol	Relay (1.0) Calculated Property
IE	[8.22; 8.26]	eV
IE	8.24 ± 0.05	eV	NIST
IE	8.26	eV	NIST
IE	8.25 ± 0.02	eV	NIST
IE	8.22	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	[636.40; 673.00]
Inp	654.00		NIST
Inp	673.00		NIST
Inp	653.00		NIST
Inp	654.00		NIST
Inp	655.00		NIST
Inp	656.00		NIST
Inp	Outlier 636.40		NIST
Inp	673.00		NIST
Inp	654.00		NIST
Inp	656.00		NIST
Tboil	[354.20; 356.62]	K
Tboil	354.20	K	NIST
Tboil	356.62 ± 0.40	K	NIST
Tc	524.92	K	Relay (1.0) Calculated Property
Tfus	177.10 ± 0.40	K	NIST
Vc	0.327	m3/kmol	Relay (1.0) Calculated Property

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	[0.0014665; 0.0001289]	Pa×s	[177.10; 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.			177.10
Temperature range, max.			369.12
η	0.0014665	Pa×s	177.10	Calculated Property
η	0.0008872	Pa×s	198.44	Calculated Property
η	0.0005917	Pa×s	219.77	Calculated Property
η	0.0004240	Pa×s	241.11	Calculated Property
η	0.0003207	Pa×s	262.44	Calculated Property
η	0.0002530	Pa×s	283.78	Calculated Property
η	0.0002063	Pa×s	305.11	Calculated Property
η	0.0001728	Pa×s	326.45	Calculated Property
η	0.0001479	Pa×s	347.78	Calculated Property
η	0.0001289	Pa×s	369.12	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[3.78e-04; 3295.65]	kPa	[177.05; 538.00]	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			6.03125e+01
Coefficient B			-5.90969e+03
Coefficient C			-6.75131e+00
Coefficient D			4.22754e-06
Coefficient E			0.00000e+00
Temperature range, min.			177.05
Temperature range, max.			538.00
Pvap	3.78e-04	kPa	177.05	Calculated Property
Pvap	0.05	kPa	217.16	Calculated Property
Pvap	1.16	kPa	257.26	Calculated Property
Pvap	10.64	kPa	297.37	Calculated Property
Pvap	53.50	kPa	337.47	Calculated Property
Pvap	181.80	kPa	377.58	Calculated Property
Pvap	472.99	kPa	417.68	Calculated Property
Pvap	1020.50	kPa	457.79	Calculated Property
Pvap	1925.50	kPa	497.89	Calculated Property
Pvap	3295.65	kPa	538.00	Calculated Property

Similar Compounds

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

Sources

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

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