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

• 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
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°	28.24	kJ/mol	Joback 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	-2.04		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	[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	Outlier 617.00		NIST
Inp	612.00		NIST
Inp	615.00		NIST
Tboil	346.40 ± 0.60	K	NIST
Tc	513.57	K	Joback Calculated Property
Tfus	170.80 ± 0.60	K	NIST
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; 202.64]	kPa	[254.39; 369.96]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.