Chemical Properties of 1,4-Hexadiene (CAS 592-45-0)

InChI

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

InChI Key

PRBHEGAFLDMLAL-UHFFFAOYSA-N

Formula

C6H10

SMILES

C=CCC=CC

Molecular Weight¹

82.14

CAS

592-45-0

Other Names

• 1,4-Hexa-1,4-diene
• 1,4-Hexadiene cis-trans
• 1,4-Hexadiene,c&t
• cis,trans-hexa-1,4-diene

• 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).
• 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°	167.70	kJ/mol	Joback Calculated Property
ΔfH°gas	75.48	kJ/mol	Joback Calculated Property
ΔfusH°	10.22	kJ/mol	Joback Calculated Property
ΔvapH°	28.24	kJ/mol	Joback Calculated Property
log10WS	-2.04		Crippen 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	[593.00; 597.20]
Inp	593.00		NIST
Inp	593.00		NIST
Inp	597.20		NIST
Inp	597.00		NIST
Inp	593.00		NIST
Inp	597.00		NIST
Tboil	[338.20; 339.00]	K
Tboil	338.20	K	NIST
Tboil	339.00 ± 2.00	K	NIST
Tboil	339.00 ± 2.00	K	NIST
Tboil	339.00 ± 2.00	K	NIST
Tboil	338.20 ± 2.00	K	NIST
Tc	513.57	K	Joback Calculated Property
Tfus	150.54	K	Joback Calculated Property
Vc	0.333	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[132.12; 183.93]	J/mol×K	[337.52; 513.57]
Cp,gas	132.12	J/mol×K	337.52	Joback Calculated Property
Cp,gas	141.86	J/mol×K	366.86	Joback Calculated Property
Cp,gas	151.13	J/mol×K	396.20	Joback Calculated Property
Cp,gas	159.96	J/mol×K	425.54	Joback Calculated Property
Cp,gas	168.36	J/mol×K	454.89	Joback Calculated Property
Cp,gas	176.34	J/mol×K	484.23	Joback Calculated Property
Cp,gas	183.93	J/mol×K	513.57	Joback Calculated Property
η	[0.0001758; 0.0031761]	Pa×s	[150.54; 337.52]
η	0.0031761	Pa×s	150.54	Joback Calculated Property
η	0.0012964	Pa×s	181.70	Joback Calculated Property
η	0.0006879	Pa×s	212.87	Joback Calculated Property
η	0.0004292	Pa×s	244.03	Joback Calculated Property
η	0.0002980	Pa×s	275.19	Joback Calculated Property
η	0.0002228	Pa×s	306.36	Joback Calculated Property
η	0.0001758	Pa×s	337.52	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[252.02; 358.78]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.55162e+01
Coefficient B			-3.30255e+03
Coefficient C			-3.51560e+01
Temperature range, min.			252.02
Temperature range, max.			358.78
Pvap	1.33	kPa	252.02	Calculated Property
Pvap	2.94	kPa	263.88	Calculated Property
Pvap	5.99	kPa	275.74	Calculated Property
Pvap	11.41	kPa	287.61	Calculated Property
Pvap	20.52	kPa	299.47	Calculated Property
Pvap	35.10	kPa	311.33	Calculated Property
Pvap	57.43	kPa	323.19	Calculated Property
Pvap	90.38	kPa	335.06	Calculated Property
Pvap	137.42	kPa	346.92	Calculated Property
Pvap	202.62	kPa	358.78	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Hexadiene.

Sources

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

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