Chemical Properties of 1,3,5-Hexatriene, (E)- (CAS 821-07-8)

InChI

InChI=1S/C6H8/c1-3-5-6-4-2/h3-6H,1-2H2/b6-5+

InChI Key

AFVDZBIIBXWASR-AATRIKPKSA-N

Formula

C6H8

SMILES

C=CC=CC=C

Molecular Weight¹

80.13

CAS

821-07-8

Other Names

• (E)-1,3,5-Hexatriene
• (E)-CH2=CHCH=CHCH=CH2
• 1,3,5-Hexatriene, trans-
• trans-1,3,5-Hexatriene
• trans-Hexatriene

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• 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
ΔcH°liquid	-3630.00 ± 10.00	kJ/mol	NIST
ΔfG°	255.54	kJ/mol	Joback Calculated Property
ΔfH°gas	168.00 ± 3.00	kJ/mol	NIST
ΔfusH°	8.94	kJ/mol	Joback Calculated Property
ΔvapH°	20.50	kJ/mol	NIST
IE	[8.27; 8.30]	eV
IE	8.30 ± 0.02	eV	NIST
IE	8.29 ± 0.02	eV	NIST
IE	8.27	eV	NIST
IE	8.29	eV	NIST
log10WS	-1.89		Crippen Calculated Property
logPoct/wat	1.915		Crippen Calculated Property
McVol	82.500	ml/mol	McGowan Calculated Property
Pc	3637.73	kPa	Joback Calculated Property
Tboil	353.40 ± 2.00	K	NIST
Tc	514.08	K	Joback Calculated Property
Tfus	148.78	K	Joback Calculated Property
Vc	0.314	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[119.39; 167.09]	J/mol×K	[334.20; 514.08]
Cp,gas	119.39	J/mol×K	334.20	Joback Calculated Property
Cp,gas	128.51	J/mol×K	364.18	Joback Calculated Property
Cp,gas	137.13	J/mol×K	394.16	Joback Calculated Property
Cp,gas	145.27	J/mol×K	424.14	Joback Calculated Property
Cp,gas	152.97	J/mol×K	454.12	Joback Calculated Property
Cp,gas	160.23	J/mol×K	484.10	Joback Calculated Property
Cp,gas	167.09	J/mol×K	514.08	Joback Calculated Property
η	[0.0001656; 0.0024391]	Pa×s	[148.78; 334.20]
η	0.0024391	Pa×s	148.78	Joback Calculated Property
η	0.0010595	Pa×s	179.68	Joback Calculated Property
η	0.0005878	Pa×s	210.59	Joback Calculated Property
η	0.0003792	Pa×s	241.49	Joback Calculated Property
η	0.0002702	Pa×s	272.39	Joback Calculated Property
η	0.0002063	Pa×s	303.30	Joback Calculated Property
η	0.0001656	Pa×s	334.20	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[259.30; 376.34]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47716e+01
Coefficient B			-3.19210e+03
Coefficient C			-3.89090e+01
Temperature range, min.			259.30
Temperature range, max.			376.34
Pvap	1.33	kPa	259.30	Calculated Property
Pvap	2.99	kPa	272.30	Calculated Property
Pvap	6.15	kPa	285.31	Calculated Property
Pvap	11.78	kPa	298.31	Calculated Property
Pvap	21.19	kPa	311.32	Calculated Property
Pvap	36.14	kPa	324.32	Calculated Property
Pvap	58.84	kPa	337.33	Calculated Property
Pvap	91.98	kPa	350.33	Calculated Property
Pvap	138.71	kPa	363.34	Calculated Property
Pvap	202.67	kPa	376.34	Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5-Hexatriene, (E)-.

Sources

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

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