Chemical Properties of 1,3-Cyclooctadiene, (Z,Z)- (CAS 3806-59-5)

InChI

InChI=1S/C8H12/c1-2-4-6-8-7-5-3-1/h1-4H,5-8H2/b3-1-,4-2-

InChI Key

RRKODOZNUZCUBN-CCAGOZQPSA-N

Formula

C8H12

SMILES

C1=CCCCCC=C1

Molecular Weight¹

108.18

CAS

3806-59-5

Other Names

• 1,3-Cyclooctadiene
• c,c-Cycloocta-1,3-diene
• cis,cis-1,3-Cyclooctadiene

• 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_boilr : Boiling point at reduced pressure (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	0.1818		Relay (1.0) Calculated Property
ΔfG°	84.36	kJ/mol	Joback Calculated Property
ΔfH°gas	84.10	kJ/mol	NIST
ΔfusH°	5.48	kJ/mol	Joback Calculated Property
ΔvapH°	43.00	kJ/mol	Relay (1.0) Calculated Property
IE	8.68	eV	NIST
log10WS	-2.99		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
Inp	[874.00; 920.00]
Inp	904.60		NIST
Inp	889.00		NIST
Inp	874.00		NIST
Inp	889.00		NIST
Inp	893.00		NIST
Inp	889.00		NIST
Inp	886.00		NIST
Inp	920.00		NIST
Inp	892.00		NIST
Inp	920.00		NIST
Inp	892.00		NIST
Inp	904.60		NIST
Inp	889.00		NIST
Inp	920.00		NIST
Inp	886.00		NIST
Tboil	414.30	K	Relay (1.0) Calculated Property
Tc	611.08	K	Relay (1.0) Calculated Property
Tfus	229.72	K	Relay (1.0) Calculated Property
Vc	0.358	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[328.00; 328.20]	K	[4.50; 4.50]
Tboilr	328.20	K	4.50	NIST
Tboilr	328.00	K	4.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[112.08; 351.43]	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			-7.06100e+01
Coefficient B			7.81200e-01
Coefficient C			-4.29560e-04
Coefficient D			7.04000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	112.08	J/mol×K	273.00	Calculated Property
Cp,gas	155.12	J/mol×K	353.78	Calculated Property
Cp,gas	193.52	J/mol×K	434.56	Calculated Property
Cp,gas	227.53	J/mol×K	515.33	Calculated Property
Cp,gas	257.34	J/mol×K	596.11	Calculated Property
Cp,gas	283.19	J/mol×K	676.89	Calculated Property
Cp,gas	305.31	J/mol×K	757.67	Calculated Property
Cp,gas	323.90	J/mol×K	838.44	Calculated Property
Cp,gas	339.20	J/mol×K	919.22	Calculated Property
Cp,gas	351.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0291355; 0.0001547]	Pa×s	[186.02; 446.26]	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			-1.25182e+01
Coefficient B			1.67090e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			186.02
Temperature range, max.			446.26
η	0.0291355	Pa×s	186.02	Calculated Property
η	0.0087018	Pa×s	214.94	Calculated Property
η	0.0034615	Pa×s	243.85	Calculated Property
η	0.0016742	Pa×s	272.77	Calculated Property
η	0.0009307	Pa×s	301.68	Calculated Property
η	0.0005733	Pa×s	330.60	Calculated Property
η	0.0003818	Pa×s	359.52	Calculated Property
η	0.0002702	Pa×s	388.43	Calculated Property
η	0.0002005	Pa×s	417.35	Calculated Property
η	0.0001547	Pa×s	446.26	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.81; 202.64]	kPa	[221.25; 490.58]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			9.18562e+00
Coefficient B			-1.77624e+03
Coefficient C			-3.20980e+01
Temperature range, min.			221.25
Temperature range, max.			490.58
Pvap	0.81	kPa	221.25	Calculated Property
Pvap	2.94	kPa	251.18	Calculated Property
Pvap	7.78	kPa	281.10	Calculated Property
Pvap	16.74	kPa	311.03	Calculated Property
Pvap	31.02	kPa	340.95	Calculated Property
Pvap	51.55	kPa	370.88	Calculated Property
Pvap	78.89	kPa	400.80	Calculated Property
Pvap	113.27	kPa	430.73	Calculated Property
Pvap	154.61	kPa	460.65	Calculated Property
Pvap	202.64	kPa	490.58	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Cyclooctadiene, (Z,Z)-.

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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