Chemical Properties of 1,5-Cyclooctadiene, (Z,Z)- (CAS 1552-12-1)

InChI

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

InChI Key

VYXHVRARDIDEHS-QGTKBVGQSA-N

Formula

C8H12

SMILES

C1=CCCC=CCC1

Molecular Weight¹

108.18

CAS

1552-12-1

Other Names

• (Z,Z)-1,5-Cyclooctadiene
• (Z,Z)-cycloocta-1,5-diene
• 1,5-Cyclooctadiene
• COD
• cis,cis-1,5-Cyclooctadiene
• cis,cis-Cycloocta-1,5-diene

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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.
• I : 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	0.1926		Relay (1.0) Calculated Property
ΔcH°liquid	[-4920.80; -4880.60]	kJ/mol
ΔcH°liquid	-4920.80 ± 1.30	kJ/mol	NIST
ΔcH°liquid	-4880.60	kJ/mol	NIST
ΔfG°	84.36	kJ/mol	Joback Calculated Property
ΔfH°gas	101.00 ± 1.40	kJ/mol	NIST
ΔfH°liquid	57.70 ± 1.40	kJ/mol	NIST
ΔfusH°	5.48	kJ/mol	Joback Calculated Property
ΔvapH°	[41.00; 43.40]	kJ/mol
ΔvapH°	43.39	kJ/mol	NIST
ΔvapH°	43.40 ± 0.10	kJ/mol	NIST
ΔvapH°	43.30	kJ/mol	NIST
ΔvapH°	41.00	kJ/mol	NIST
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-3.24		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	[144.40; 959.00]
Inp	959.00		NIST
Inp	931.10		NIST
Inp	946.00		NIST
Inp	926.00		NIST
Inp	923.00		NIST
Inp	915.00		NIST
Inp	907.00		NIST
Inp	915.00		NIST
Inp	903.00		NIST
Inp	911.00		NIST
Inp	918.00		NIST
Inp	923.00		NIST
Inp	915.00		NIST
Inp	917.00		NIST
Inp	949.00		NIST
Inp	928.00		NIST
Inp	926.00		NIST
Inp	871.00		NIST
Inp	948.00		NIST
Inp	917.00		NIST
Inp	917.00		NIST
Inp	Outlier 144.40		NIST
Inp	Outlier 144.40		NIST
Inp	917.00		NIST
Inp	926.00		NIST
I	[1188.00; 1188.00]
I	1188.00		NIST
I	1188.00		NIST
Tboil	[420.00; 421.00]	K
Tboil	420.00 ± 2.00	K	NIST
Tboil	421.00 ± 2.00	K	NIST
Tc	585.04	K	Relay (1.0) Calculated Property
Tfus	203.00 ± 5.00	K	NIST
Vc	0.360	m3/kmol	Relay (1.0) Calculated Property

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	[0.0137443; 0.0001547]	Pa×s	[203.00; 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.			203.00
Temperature range, max.			446.26
η	0.0137443	Pa×s	203.00	Calculated Property
η	0.0052249	Pa×s	230.03	Calculated Property
η	0.0024343	Pa×s	257.06	Calculated Property
η	0.0013116	Pa×s	284.09	Calculated Property
η	0.0007868	Pa×s	311.12	Calculated Property
η	0.0005122	Pa×s	338.15	Calculated Property
η	0.0003553	Pa×s	365.18	Calculated Property
η	0.0002592	Pa×s	392.21	Calculated Property
η	0.0001969	Pa×s	419.23	Calculated Property
η	0.0001547	Pa×s	446.26	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[309.32; 448.84]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43225e+01
Coefficient B			-3.51233e+03
Coefficient C			-5.90640e+01
Temperature range, min.			309.32
Temperature range, max.			448.84
Pvap	1.33	kPa	309.32	Calculated Property
Pvap	3.02	kPa	324.82	Calculated Property
Pvap	6.26	kPa	340.32	Calculated Property
Pvap	12.03	kPa	355.83	Calculated Property
Pvap	21.64	kPa	371.33	Calculated Property
Pvap	36.84	kPa	386.83	Calculated Property
Pvap	59.77	kPa	402.33	Calculated Property
Pvap	93.00	kPa	417.84	Calculated Property
Pvap	139.51	kPa	433.34	Calculated Property
Pvap	202.63	kPa	448.84	Calculated Property

Similar Compounds

Find more compounds similar to 1,5-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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