Chemical Properties of 2,4-Hexadiene (CAS 592-46-1)

InChI

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

InChI Key

APPOKADJQUIAHP-UHFFFAOYSA-N

Formula

C6H10

SMILES

CC=CC=CC

Molecular Weight¹

82.14

CAS

592-46-1

Other Names

• 1,4-Dimethylbutadiene
• Bipropenyl
• CH3CH=CHCH=CHCH3
• Dipropenyl
• Hexa-2,4-diene
• 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.
• I : 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	30.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.70	kJ/mol	Joback Calculated Property
ΔvapH°	33.54	kJ/mol	Relay (1.0) Calculated Property
IE	[8.09; 8.48]	eV
IE	8.48 ± 0.05	eV	NIST
IE	8.19	eV	NIST
IE	8.09 ± 0.03	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	[629.00; 664.00]
Inp	661.00		NIST
Inp	662.00		NIST
Inp	663.00		NIST
Inp	664.00		NIST
Inp	629.00		NIST
Inp	629.00		NIST
Inp	629.00		NIST
Inp	661.00		NIST
I	[1280.00; 1284.00]
I	1280.00		NIST
I	1284.00		NIST
Tboil	[351.00; 356.00]	K
Tboil	355.20	K	NIST
Tboil	353.20	K	NIST
Tboil	356.00 ± 3.00	K	NIST
Tboil	355.20 ± 2.00	K	NIST
Tboil	354.00 ± 2.00	K	NIST
Tboil	355.20 ± 2.00	K	NIST
Tboil	355.00 ± 2.00	K	NIST
Tboil	355.20 ± 2.00	K	NIST
Tboil	352.70 ± 4.00	K	NIST
Tboil	355.50 ± 2.00	K	NIST
Tboil	354.00 ± 2.00	K	NIST
Tboil	355.00 ± 2.00	K	NIST
Tboil	Outlier 351.00 ± 3.00	K	NIST
Tboil	355.15 ± 2.00	K	NIST
Tc	524.92	K	Relay (1.0) Calculated Property
Tfus	247.92	K	Relay (1.0) Calculated Property
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	[0.0037874; 0.0001289]	Pa×s	[147.22; 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.			147.22
Temperature range, max.			369.12
η	0.0037874	Pa×s	147.22	Calculated Property
η	0.0016905	Pa×s	171.88	Calculated Property
η	0.0009238	Pa×s	196.53	Calculated Property
η	0.0005776	Pa×s	221.19	Calculated Property
η	0.0003968	Pa×s	245.84	Calculated Property
η	0.0002920	Pa×s	270.50	Calculated Property
η	0.0002261	Pa×s	295.15	Calculated Property
η	0.0001821	Pa×s	319.81	Calculated Property
η	0.0001513	Pa×s	344.46	Calculated Property
η	0.0001289	Pa×s	369.12	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[264.02; 375.55]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.54329e+01
Coefficient B			-3.40305e+03
Coefficient C			-3.93260e+01
Temperature range, min.			264.02
Temperature range, max.			375.55
Pvap	1.33	kPa	264.02	Calculated Property
Pvap	2.94	kPa	276.41	Calculated Property
Pvap	6.00	kPa	288.80	Calculated Property
Pvap	11.45	kPa	301.20	Calculated Property
Pvap	20.59	kPa	313.59	Calculated Property
Pvap	35.21	kPa	325.98	Calculated Property
Pvap	57.58	kPa	338.37	Calculated Property
Pvap	90.56	kPa	350.77	Calculated Property
Pvap	137.57	kPa	363.16	Calculated Property
Pvap	202.65	kPa	375.55	Calculated Property

Similar Compounds

Find more compounds similar to 2,4-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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