Chemical Properties of (E)-1,3-Hexadiene (CAS 20237-34-7)

InChI

InChI=1S/C6H10/c1-3-5-6-4-2/h3,5-6H,1,4H2,2H3/b6-5+

InChI Key

AHAREKHAZNPPMI-AATRIKPKSA-N

Formula

C6H10

SMILES

C=CC=CCC

Molecular Weight¹

82.14

CAS

20237-34-7

Other Names

• 1,3-Hexadiene, (E)-
• 1,trans-3-hexadiene

• 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	0.2089		Relay (1.0) Calculated Property
ΔfG°	167.70	kJ/mol	Joback Calculated Property
ΔfH°gas	54.00 ± 2.00	kJ/mol	NIST
ΔfusH°	10.22	kJ/mol	Joback Calculated Property
ΔvapH°	29.05	kJ/mol	Relay (1.0) Calculated Property
IE	[8.51; 8.54]	eV
IE	8.54 ± 0.05	eV	NIST
IE	8.53 ± 0.02	eV	NIST
IE	8.51	eV	NIST
log10WS	-2.60		Relay (1.0) Calculated Property
logPoct/wat	2.139		Crippen Calculated Property
McVol	86.800	ml/mol	McGowan Calculated Property
Pc	3460.21	kPa	Joback Calculated Property
Inp	[611.00; 617.00]
Inp	612.00		NIST
Inp	612.50		NIST
Inp	612.00		NIST
Inp	614.00		NIST
Inp	614.00		NIST
Inp	615.00		NIST
Inp	611.00		NIST
Inp	617.00		NIST
Inp	617.00		NIST
Inp	612.00		NIST
Inp	615.00		NIST
Tboil	346.40 ± 0.60	K	NIST
Tc	514.42	K	Relay (1.0) Calculated Property
Tfus	170.80 ± 0.60	K	NIST
Vc	0.326	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[108.95; 269.78]	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			-1.97390e+01
Coefficient B			5.73820e-01
Coefficient C			-4.09300e-04
Coefficient D			1.25000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	108.95	J/mol×K	273.00	Calculated Property
Cp,gas	137.57	J/mol×K	353.78	Calculated Property
Cp,gas	162.58	J/mol×K	434.56	Calculated Property
Cp,gas	184.38	J/mol×K	515.33	Calculated Property
Cp,gas	203.36	J/mol×K	596.11	Calculated Property
Cp,gas	219.91	J/mol×K	676.89	Calculated Property
Cp,gas	234.43	J/mol×K	757.67	Calculated Property
Cp,gas	247.32	J/mol×K	838.44	Calculated Property
Cp,gas	258.97	J/mol×K	919.22	Calculated Property
Cp,gas	269.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017090; 0.0001522]	Pa×s	[170.80; 359.71]	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			-1.09765e+01
Coefficient B			7.86480e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			170.80
Temperature range, max.			359.71
η	0.0017090	Pa×s	170.80	Calculated Property
η	0.0010325	Pa×s	191.79	Calculated Property
η	0.0006890	Pa×s	212.78	Calculated Property
η	0.0004944	Pa×s	233.77	Calculated Property
η	0.0003747	Pa×s	254.76	Calculated Property
η	0.0002962	Pa×s	275.75	Calculated Property
η	0.0002421	Pa×s	296.74	Calculated Property
η	0.0002032	Pa×s	317.73	Calculated Property
η	0.0001743	Pa×s	338.72	Calculated Property
η	0.0001522	Pa×s	359.71	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[254.39; 369.96]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.36864e+01
Coefficient B			-2.58152e+03
Coefficient C			-6.17180e+01
Temperature range, min.			254.39
Temperature range, max.			369.96
Pvap	1.33	kPa	254.39	Calculated Property
Pvap	3.08	kPa	267.23	Calculated Property
Pvap	6.45	kPa	280.07	Calculated Property
Pvap	12.43	kPa	292.91	Calculated Property
Pvap	22.38	kPa	305.75	Calculated Property
Pvap	37.97	kPa	318.60	Calculated Property
Pvap	61.27	kPa	331.44	Calculated Property
Pvap	94.65	kPa	344.28	Calculated Property
Pvap	140.81	kPa	357.12	Calculated Property
Pvap	202.64	kPa	369.96	Calculated Property

Similar Compounds

Find more compounds similar to (E)-1,3-Hexadiene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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