Chemical Properties of 1,7-Octadiene (CAS 3710-30-3)

InChI

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

InChI Key

XWJBRBSPAODJER-UHFFFAOYSA-N

Formula

C8H14

SMILES

C=CCCCCC=C

Molecular Weight¹

110.20

CAS

3710-30-3

Other Names

• .alpha.,.omega.-octadiene
• Octa-1,7-diene
• octadiene-1,7
• «alpha»,«omega»-Octadiene

• 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	0.3294		Relay (1.0) Calculated Property
ΔfG°	192.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-1.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.92	kJ/mol	Joback Calculated Property
ΔvapH°	42.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.52 ± 0.02	eV	NIST
log10WS	-3.99		Relay (1.0) Calculated Property
logPoct/wat	2.919		Crippen Calculated Property
McVol	114.980	ml/mol	McGowan Calculated Property
Pc	2764.26	kPa	Joback Calculated Property
Inp	[762.00; 795.00]
Inp	763.50		NIST
Inp	778.00		NIST
Inp	777.00		NIST
Inp	767.80		NIST
Inp	764.20		NIST
Inp	762.60		NIST
Inp	762.00		NIST
Inp	764.99		NIST
Inp	764.99		NIST
Inp	777.00		NIST
Inp	782.00		NIST
Inp	Outlier 795.00		NIST
Inp	777.00		NIST
Inp	763.50		NIST
Inp	762.60		NIST
Tboil	[387.00; 390.70]	K
Tboil	390.70	K	NIST
Tboil	387.00	K	NIST
Tboil	388.70	K	NIST
Tboil	388.00 ± 4.00	K	NIST
Tboil	390.00 ± 3.00	K	NIST
Tboil	389.00 ± 2.00	K	NIST
Tc	574.54	K	Relay (1.0) Calculated Property
Tfus	185.87	K	Relay (1.0) Calculated Property
Vc	0.426	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[155.57; 375.03]	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			-1.03660e+01
Coefficient B			7.23800e-01
Coefficient C			-4.57200e-04
Coefficient D			1.18800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	155.57	J/mol×K	273.00	Calculated Property
Cp,gas	193.74	J/mol×K	353.78	Calculated Property
Cp,gas	227.58	J/mol×K	434.56	Calculated Property
Cp,gas	257.47	J/mol×K	515.33	Calculated Property
Cp,gas	283.80	J/mol×K	596.11	Calculated Property
Cp,gas	306.93	J/mol×K	676.89	Calculated Property
Cp,gas	327.24	J/mol×K	757.67	Calculated Property
Cp,gas	345.12	J/mol×K	838.44	Calculated Property
Cp,gas	360.92	J/mol×K	919.22	Calculated Property
Cp,gas	375.03	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0038245; 0.0002211]	Pa×s	[176.40; 382.40]	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			-1.08577e+01
Coefficient B			9.33400e+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.			176.40
Temperature range, max.			382.40
η	0.0038245	Pa×s	176.40	Calculated Property
η	0.0020828	Pa×s	199.29	Calculated Property
η	0.0012856	Pa×s	222.18	Calculated Property
η	0.0008683	Pa×s	245.07	Calculated Property
η	0.0006272	Pa×s	267.96	Calculated Property
η	0.0004768	Pa×s	290.84	Calculated Property
η	0.0003773	Pa×s	313.73	Calculated Property
η	0.0003082	Pa×s	336.62	Calculated Property
η	0.0002583	Pa×s	359.51	Calculated Property
η	0.0002211	Pa×s	382.40	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[292.42; 412.06]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.55248e+01
Coefficient B			-3.70607e+03
Coefficient C			-4.91950e+01
Temperature range, min.			292.42
Temperature range, max.			412.06
Pvap	1.33	kPa	292.42	Calculated Property
Pvap	2.94	kPa	305.71	Calculated Property
Pvap	5.98	kPa	319.01	Calculated Property
Pvap	11.40	kPa	332.30	Calculated Property
Pvap	20.51	kPa	345.59	Calculated Property
Pvap	35.09	kPa	358.89	Calculated Property
Pvap	57.42	kPa	372.18	Calculated Property
Pvap	90.37	kPa	385.47	Calculated Property
Pvap	137.42	kPa	398.77	Calculated Property
Pvap	202.64	kPa	412.06	Calculated Property

Similar Compounds

Find more compounds similar to 1,7-Octadiene.

Mixtures

• 1,7-Octadiene + Formamide, N-methyl-
• 1,7-Octadiene + Acetic acid, pentyl ester
• 1,7-Octadiene + Ethanol, 2-methoxy-

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Thermodynamics of solvation in propylene glycol and methyl cellosolve
• Abraham model correlations for describing the thermodynamic properties of solute transfer into pentyl acetate based on headspace chromatographic and solubility measurements
• Standard molar Gibbs free energy and enthalpy of solvation of lowpolar solutes in formamide derivatives at 298 K
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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