Chemical Properties of 1,2-Hexadiene (CAS 592-44-9)

InChI

InChI=1S/C6H10/c1-3-5-6-4-2/h5H,1,4,6H2,2H3

InChI Key

XIAJQOBRHVKGSP-UHFFFAOYSA-N

Formula

C6H10

SMILES

C=C=CCCC

Molecular Weight¹

82.14

CAS

592-44-9

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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
ω	0.2489		Relay (1.0) Calculated Property
ΔfG°	215.76	kJ/mol	Joback Calculated Property
ΔfH°gas	121.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.15	kJ/mol	Joback Calculated Property
ΔvapH°	29.47	kJ/mol	Relay (1.0) Calculated Property
IE	9.00 ± 0.05	eV	NIST
log10WS	-1.89		Relay (1.0) Calculated Property
logPoct/wat	2.128		Crippen Calculated Property
McVol	86.800	ml/mol	McGowan Calculated Property
Pc	3628.97	kPa	Joback Calculated Property
Tboil	[348.00; 351.00]	K
Tboil	348.00 ± 2.00	K	NIST
Tboil	348.65 ± 4.00	K	NIST
Tboil	351.00 ± 2.00	K	NIST
Tc	510.40	K	Relay (1.0) Calculated Property
Tfus	143.56	K	Relay (1.0) Calculated Property
Vc	0.320	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[139.77; 187.34]	J/mol×K	[336.63; 514.92]
Cp,gas	139.77	J/mol×K	336.63	Joback Calculated Property
Cp,gas	148.37	J/mol×K	366.35	Joback Calculated Property
Cp,gas	156.69	J/mol×K	396.06	Joback Calculated Property
Cp,gas	164.75	J/mol×K	425.78	Joback Calculated Property
Cp,gas	172.54	J/mol×K	455.49	Joback Calculated Property
Cp,gas	180.07	J/mol×K	485.21	Joback Calculated Property
Cp,gas	187.34	J/mol×K	514.92	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[254.31; 371.54]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41281e+01
Coefficient B			-2.84732e+03
Coefficient C			-4.85900e+01
Temperature range, min.			254.31
Temperature range, max.			371.54
Pvap	1.33	kPa	254.31	Calculated Property
Pvap	3.04	kPa	267.34	Calculated Property
Pvap	6.32	kPa	280.36	Calculated Property
Pvap	12.14	kPa	293.39	Calculated Property
Pvap	21.85	kPa	306.41	Calculated Property
Pvap	37.17	kPa	319.44	Calculated Property
Pvap	60.21	kPa	332.46	Calculated Property
Pvap	93.49	kPa	345.49	Calculated Property
Pvap	139.90	kPa	358.51	Calculated Property
Pvap	202.65	kPa	371.54	Calculated Property

Similar Compounds

Find more compounds similar to 1,2-Hexadiene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.