Chemical Properties of 1,4-Hexadiene, (Z)- (CAS 7318-67-4)

InChI

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

InChI Key

PRBHEGAFLDMLAL-XQRVVYSFSA-N

Formula

C6H10

SMILES

C=CCC=CC

Molecular Weight¹

82.14

CAS

7318-67-4

Other Names

• (4Z)-1,4-Hexadiene
• (Z)-1,4-HEXADIENE
• (Z)-CH2=CHCH2CH=CHCH3
• (Z)-hexa-1,4-diene
• 1,cis-4-Hexadiene
• cis-1,4-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	0.1776		Relay (1.0) Calculated Property
ΔfG°	167.70	kJ/mol	Joback Calculated Property
ΔfH°gas	77.00 ± 2.00	kJ/mol	NIST
ΔfusH°	10.22	kJ/mol	Joback Calculated Property
ΔvapH°	32.48	kJ/mol	Relay (1.0) Calculated Property
IE	9.04 ± 0.05	eV	NIST
log10WS	-2.63		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	[585.71; 598.00]
Inp	587.20		NIST
Inp	587.50		NIST
Inp	585.71		NIST
Inp	588.00		NIST
Inp	588.00		NIST
Inp	589.00		NIST
Inp	590.00		NIST
Inp	598.00		NIST
Inp	598.00		NIST
Tboil	337.10	K	Relay (1.0) Calculated Property
Tc	506.09	K	Relay (1.0) Calculated Property
Tfus	153.89	K	Relay (1.0) Calculated Property
Vc	0.321	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	[0.0031761; 0.0001522]	Pa×s	[150.54; 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.			150.54
Temperature range, max.			359.71
η	0.0031761	Pa×s	150.54	Calculated Property
η	0.0015792	Pa×s	173.78	Calculated Property
η	0.0009260	Pa×s	197.02	Calculated Property
η	0.0006077	Pa×s	220.26	Calculated Property
η	0.0004322	Pa×s	243.50	Calculated Property
η	0.0003262	Pa×s	266.75	Calculated Property
η	0.0002575	Pa×s	289.99	Calculated Property
η	0.0002106	Pa×s	313.23	Calculated Property
η	0.0001771	Pa×s	336.47	Calculated Property
η	0.0001522	Pa×s	359.71	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[245.95; 368.31]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.35007e+01
Coefficient B			-2.63542e+03
Coefficient C			-4.65000e+01
Temperature range, min.			245.95
Temperature range, max.			368.31
Pvap	1.33	kPa	245.95	Calculated Property
Pvap	3.10	kPa	259.55	Calculated Property
Pvap	6.50	kPa	273.14	Calculated Property
Pvap	12.56	kPa	286.74	Calculated Property
Pvap	22.61	kPa	300.33	Calculated Property
Pvap	38.32	kPa	313.93	Calculated Property
Pvap	61.73	kPa	327.52	Calculated Property
Pvap	95.16	kPa	341.12	Calculated Property
Pvap	141.19	kPa	354.71	Calculated Property
Pvap	202.62	kPa	368.31	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Hexadiene, (Z)-.

Sources

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

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