Chemical Properties of 1,4-Cyclooctadiene (CAS 1073-07-0)

InChI

InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-2,5,7H,3-4,6,8H2/b2-1-,7-5?

InChI Key

DNZZPKYSGRTNGK-ACALLGSNSA-N

Formula

C8H12

SMILES

C1=CCCCC=CC1

Molecular Weight¹

108.18

CAS

1073-07-0

Other Names

• Cycloocta-1,4-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).
• 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	0.1668		Relay (1.0) Calculated Property
ΔfG°	84.36	kJ/mol	Joback Calculated Property
ΔfH°gas	69.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	5.48	kJ/mol	Joback Calculated Property
ΔvapH°	43.21	kJ/mol	Relay (1.0) Calculated Property
IE	[8.50; 8.64]	eV
IE	8.50	eV	NIST
IE	8.64 ± 0.03	eV	NIST
log10WS	-2.86		Relay (1.0) Calculated Property
logPoct/wat	2.673		Crippen Calculated Property
McVol	104.120	ml/mol	McGowan Calculated Property
Pc	3782.33	kPa	Joback Calculated Property
Tboil	414.70	K	Relay (1.0) Calculated Property
Tc	588.61	K	Relay (1.0) Calculated Property
Tfus	220.00 ± 4.00	K	NIST
Vc	0.351	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.96; 270.98]	J/mol×K	[413.52; 637.21]
Cp,gas	183.96	J/mol×K	413.52	Joback Calculated Property
Cp,gas	200.71	J/mol×K	450.80	Joback Calculated Property
Cp,gas	216.53	J/mol×K	488.08	Joback Calculated Property
Cp,gas	231.45	J/mol×K	525.37	Joback Calculated Property
Cp,gas	245.48	J/mol×K	562.65	Joback Calculated Property
Cp,gas	258.65	J/mol×K	599.93	Joback Calculated Property
Cp,gas	270.98	J/mol×K	637.21	Joback Calculated Property
η	[0.0002081; 0.0291355]	Pa×s	[186.02; 413.52]
η	0.0291355	Pa×s	186.02	Joback Calculated Property
η	0.0063666	Pa×s	223.94	Joback Calculated Property
η	0.0021612	Pa×s	261.85	Joback Calculated Property
η	0.0009642	Pa×s	299.77	Joback Calculated Property
η	0.0005156	Pa×s	337.69	Joback Calculated Property
η	0.0003129	Pa×s	375.60	Joback Calculated Property
η	0.0002081	Pa×s	413.52	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[304.52; 450.67]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38062e+01
Coefficient B			-3.34077e+03
Coefficient C			-5.73960e+01
Temperature range, min.			304.52
Temperature range, max.			450.67
Pvap	1.33	kPa	304.52	Calculated Property
Pvap	3.07	kPa	320.76	Calculated Property
Pvap	6.41	kPa	337.00	Calculated Property
Pvap	12.35	kPa	353.24	Calculated Property
Pvap	22.23	kPa	369.48	Calculated Property
Pvap	37.74	kPa	385.71	Calculated Property
Pvap	60.97	kPa	401.95	Calculated Property
Pvap	94.32	kPa	418.19	Calculated Property
Pvap	140.55	kPa	434.43	Calculated Property
Pvap	202.64	kPa	450.67	Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Cyclooctadiene.

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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