Chemical Properties of Cyclooctene (CAS 931-88-4)

InChI

InChI=1S/C8H14/c1-2-4-6-8-7-5-3-1/h1-2H,3-8H2

InChI Key

URYYVOIYTNXXBN-UHFFFAOYSA-N

Formula

C8H14

SMILES

C1=CCCCCCC1

Molecular Weight¹

110.20

CAS

931-88-4

Other Names

• (Z)-Cyclooctene
• Cyclooctene (unspecified stereoisomer)

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_p : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.1842		Relay (1.0) Calculated Property
ΔfG°	54.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-56.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	4.26	kJ/mol	Joback Calculated Property
ΔvapH°	43.01	kJ/mol	Relay (1.0) Calculated Property
IE	[8.80; 9.02]	eV
IE	8.80	eV	NIST
IE	9.02	eV	NIST
log10WS	-3.50		Relay (1.0) Calculated Property
logPoct/wat	2.897		Crippen Calculated Property
McVol	108.420	ml/mol	McGowan Calculated Property
Pc	3620.24	kPa	Joback Calculated Property
Inp	[875.00; 945.00]
Inp	922.00		NIST
Inp	900.00		NIST
Inp	905.00		NIST
Inp	913.00		NIST
Inp	875.00		NIST
Inp	884.00		NIST
Inp	892.00		NIST
Inp	895.00		NIST
Inp	900.00		NIST
Inp	904.00		NIST
Inp	931.00		NIST
Inp	875.00		NIST
Inp	884.00		NIST
Inp	892.00		NIST
Inp	900.00		NIST
Inp	Outlier 945.00		NIST
Inp	888.00		NIST
Inp	910.00		NIST
Inp	889.00		NIST
Inp	899.00		NIST
Inp	Outlier 945.00		NIST
Inp	900.00		NIST
Inp	910.00		NIST
Inp	888.00		NIST
Ip	[955.00; 1035.00]
Ip	955.00		NIST
Ip	1035.00		NIST
S°liquid	254.50	J/mol×K	NIST
Tboil	417.94	K	Relay (1.0) Calculated Property
Tc	614.41	K	Relay (1.0) Calculated Property
Tfus	257.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Ttriple	259.15 ± 0.02	K	NIST
Vc	0.380	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[190.10; 222.30]	J/mol×K	[260.00; 330.00]
Cp,liquid	190.10	J/mol×K	260.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	194.70	J/mol×K	270.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	196.20	J/mol×K	273.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	199.30	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	203.90	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	207.70	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	207.80	J/mol×K	298.15	NIST
Cp,liquid	208.50	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	213.10	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	217.70	J/mol×K	320.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	222.30	J/mol×K	330.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔfusH	[1.81; 9.80]	kJ/mol	[190.10; 259.20]
ΔfusH	9.80	kJ/mol	190.10	NIST
ΔfusH	1.81	kJ/mol	259.20	NIST
ΔfusH	1.81	kJ/mol	259.20	NIST
ΔvapH	[41.60; 42.00]	kJ/mol	[303.00; 342.00]
ΔvapH	41.60	kJ/mol	303.00	NIST
ΔvapH	42.00	kJ/mol	342.00	NIST
ΔfusS	[6.98; 51.55]	J/mol×K	[190.10; 259.20]
ΔfusS	51.55	J/mol×K	190.10	NIST
ΔfusS	6.98	J/mol×K	259.20	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[118.55; 382.73]	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			-7.83900e+01
Coefficient B			8.37200e-01
Coefficient C			-4.42280e-04
Coefficient D			6.62000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	118.55	J/mol×K	273.00	Calculated Property
Cp,gas	165.37	J/mol×K	353.78	Calculated Property
Cp,gas	207.33	J/mol×K	434.56	Calculated Property
Cp,gas	244.65	J/mol×K	515.33	Calculated Property
Cp,gas	277.53	J/mol×K	596.11	Calculated Property
Cp,gas	306.19	J/mol×K	676.89	Calculated Property
Cp,gas	330.83	J/mol×K	757.67	Calculated Property
Cp,gas	351.66	J/mol×K	838.44	Calculated Property
Cp,gas	368.89	J/mol×K	919.22	Calculated Property
Cp,gas	382.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029630; 0.0001628]	Pa×s	[257.15; 445.16]	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			-1.26917e+01
Coefficient B			1.76666e+03
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.			257.15
Temperature range, max.			445.16
η	0.0029630	Pa×s	257.15	Calculated Property
η	0.0017683	Pa×s	278.04	Calculated Property
η	0.0011343	Pa×s	298.93	Calculated Property
η	0.0007710	Pa×s	319.82	Calculated Property
η	0.0005495	Pa×s	340.71	Calculated Property
η	0.0004073	Pa×s	361.60	Calculated Property
η	0.0003119	Pa×s	382.49	Calculated Property
η	0.0002455	Pa×s	403.38	Calculated Property
η	0.0001979	Pa×s	424.27	Calculated Property
η	0.0001628	Pa×s	445.16	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.18; 202.65]	kPa	[273.00; 440.17]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.61864e+01
Coefficient B			-4.62219e+03
Coefficient C			-1.51380e+01
Temperature range, min.			273.00
Temperature range, max.			440.17
Pvap	0.18	kPa	273.00	Calculated Property
Pvap	0.59	kPa	291.57	Calculated Property
Pvap	1.68	kPa	310.15	Calculated Property
Pvap	4.25	kPa	328.72	Calculated Property
Pvap	9.69	kPa	347.30	Calculated Property
Pvap	20.24	kPa	365.87	Calculated Property
Pvap	39.28	kPa	384.45	Calculated Property
Pvap	71.52	kPa	403.02	Calculated Property
Pvap	123.29	kPa	421.60	Calculated Property
Pvap	202.65	kPa	440.17	Calculated Property

Similar Compounds

Find more compounds similar to Cyclooctene.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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