Chemical Properties of 1,3,5-Cyclooctatriene (CAS 1871-52-9)

InChI

InChI=1S/C8H10/c1-2-4-6-8-7-5-3-1/h1-6H,7-8H2/b2-1-,5-3-,6-4-

InChI Key

ICPMUWPXCAVOOQ-XCADPSHZSA-N

Formula

C8H10

SMILES

C1=CC=CCCC=C1

Molecular Weight¹

106.17

CAS

1871-52-9

Other Names

• Cycloocta-1,3,5-triene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	0.1748		Relay (1.0) Calculated Property
ΔfH°gas	162.27	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	6.71	kJ/mol	Joback Calculated Property
ΔvapH°	43.57	kJ/mol	Relay (1.0) Calculated Property
IE	7.90	eV	NIST
log10WS	-2.84		Relay (1.0) Calculated Property
logPoct/wat	2.449		Crippen Calculated Property
McVol	99.820	ml/mol	McGowan Calculated Property
Pc	3955.54	kPa	Joback Calculated Property
Inp	[890.00; 905.00]
Inp	905.00		NIST
Inp	890.00		NIST
Inp	905.00		NIST
Tboil	418.70	K	NIST
Tc	601.04	K	Relay (1.0) Calculated Property
Tfus	[183.20; 189.90]	K
Tfus	189.90 ± 3.00	K	NIST
Tfus	183.20 ± 4.00	K	NIST
Vc	0.345	m3/kmol	Relay (1.0) Calculated Property

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Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[105.60; 320.13]	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			-6.28300e+01
Coefficient B			7.25200e-01
Coefficient C			-4.16840e-04
Coefficient D			7.46000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	105.60	J/mol×K	273.00	Calculated Property
Cp,gas	144.86	J/mol×K	353.78	Calculated Property
Cp,gas	179.72	J/mol×K	434.56	Calculated Property
Cp,gas	210.40	J/mol×K	515.33	Calculated Property
Cp,gas	237.15	J/mol×K	596.11	Calculated Property
Cp,gas	260.20	J/mol×K	676.89	Calculated Property
Cp,gas	279.79	J/mol×K	757.67	Calculated Property
Cp,gas	296.15	J/mol×K	838.44	Calculated Property
Cp,gas	309.52	J/mol×K	919.22	Calculated Property
Cp,gas	320.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0202126; 0.0001471]	Pa×s	[186.55; 447.40]	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			-1.23450e+01
Coefficient B			1.57514e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			186.55
Temperature range, max.			447.40
η	0.0202126	Pa×s	186.55	Calculated Property
η	0.0064940	Pa×s	215.53	Calculated Property
η	0.0027309	Pa×s	244.52	Calculated Property
η	0.0013798	Pa×s	273.50	Calculated Property
η	0.0007946	Pa×s	302.48	Calculated Property
η	0.0005040	Pa×s	331.47	Calculated Property
η	0.0003439	Pa×s	360.45	Calculated Property
η	0.0002484	Pa×s	389.43	Calculated Property
η	0.0001877	Pa×s	418.42	Calculated Property
η	0.0001471	Pa×s	447.40	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[306.92; 446.61]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42804e+01
Coefficient B			-3.48959e+03
Coefficient C			-5.75350e+01
Temperature range, min.			306.92
Temperature range, max.			446.61
Pvap	1.33	kPa	306.92	Calculated Property
Pvap	3.03	kPa	322.44	Calculated Property
Pvap	6.27	kPa	337.96	Calculated Property
Pvap	12.05	kPa	353.48	Calculated Property
Pvap	21.69	kPa	369.00	Calculated Property
Pvap	36.91	kPa	384.53	Calculated Property
Pvap	59.87	kPa	400.05	Calculated Property
Pvap	93.11	kPa	415.57	Calculated Property
Pvap	139.60	kPa	431.09	Calculated Property
Pvap	202.64	kPa	446.61	Calculated Property

Similar Compounds

Find more compounds similar to 1,3,5-Cyclooctatriene.

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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