Chemical Properties of 2,6-Octadiene (CAS 4974-27-0)

InChI

InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H,7-8H2,1-2H3

InChI Key

LAGGTOBQMQHXON-UHFFFAOYSA-N

Formula

C8H14

SMILES

CC=CCCC=CC

Molecular Weight¹

110.20

CAS

4974-27-0

Other Names

• 1,6-DIMETHYLDIALLYL
• Octa-2,6-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).
• 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°	176.92	kJ/mol	Joback Calculated Property
ΔfH°gas	25.99	kJ/mol	Joback Calculated Property
ΔfusH°	16.88	kJ/mol	Joback Calculated Property
ΔvapH°	33.32	kJ/mol	Joback Calculated Property
log10WS	-2.88		Crippen Calculated Property
logPoct/wat	2.919		Crippen Calculated Property
McVol	114.980	ml/mol	McGowan Calculated Property
Pc	2823.32	kPa	Joback Calculated Property
Tboil	[397.65; 398.00]	K
Tboil	397.70 ± 1.00	K	NIST
Tboil	398.00 ± 1.00	K	NIST
Tboil	397.65 ± 0.50	K	NIST
Tc	571.58	K	Joback Calculated Property
Tfus	169.76	K	Joback Calculated Property
Vc	0.444	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[203.62; 270.94]	J/mol×K	[390.76; 571.58]
Cp,gas	203.62	J/mol×K	390.76	Joback Calculated Property
Cp,gas	216.35	J/mol×K	420.90	Joback Calculated Property
Cp,gas	228.43	J/mol×K	451.03	Joback Calculated Property
Cp,gas	239.90	J/mol×K	481.17	Joback Calculated Property
Cp,gas	250.79	J/mol×K	511.30	Joback Calculated Property
Cp,gas	261.13	J/mol×K	541.44	Joback Calculated Property
Cp,gas	270.94	J/mol×K	571.58	Joback Calculated Property
η	[0.0001661; 0.0049045]	Pa×s	[169.76; 390.76]
η	0.0049045	Pa×s	169.76	Joback Calculated Property
η	0.0016869	Pa×s	206.59	Joback Calculated Property
η	0.0008014	Pa×s	243.43	Joback Calculated Property
η	0.0004630	Pa×s	280.26	Joback Calculated Property
η	0.0003039	Pa×s	317.09	Joback Calculated Property
η	0.0002177	Pa×s	353.93	Joback Calculated Property
η	0.0001661	Pa×s	390.76	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[299.62; 423.74]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.53464e+01
Coefficient B			-3.73343e+03
Coefficient C			-5.16970e+01
Temperature range, min.			299.62
Temperature range, max.			423.74
Pvap	1.33	kPa	299.62	Calculated Property
Pvap	2.95	kPa	313.41	Calculated Property
Pvap	6.02	kPa	327.20	Calculated Property
Pvap	11.49	kPa	340.99	Calculated Property
Pvap	20.66	kPa	354.78	Calculated Property
Pvap	35.32	kPa	368.58	Calculated Property
Pvap	57.74	kPa	382.37	Calculated Property
Pvap	90.74	kPa	396.16	Calculated Property
Pvap	137.71	kPa	409.95	Calculated Property
Pvap	202.65	kPa	423.74	Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Octadiene.

Sources

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

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