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

• 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
ΔfG°	114.32	kJ/mol	Joback Calculated Property
ΔfH°gas	27.23	kJ/mol	Joback Calculated Property
ΔfusH°	6.71	kJ/mol	Joback Calculated Property
ΔvapH°	35.36	kJ/mol	Joback Calculated Property
IE	7.90	eV	NIST
log10WS	-2.63		Crippen 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	638.83	K	Joback Calculated Property
Tfus	[183.20; 189.90]	K
Tfus	189.90 ± 3.00	K	NIST
Tfus	183.20 ± 4.00	K	NIST
Vc	0.359	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.70; 249.79]	J/mol×K	[412.68; 638.83]
Cp,gas	170.70	J/mol×K	412.68	Joback Calculated Property
Cp,gas	186.04	J/mol×K	450.37	Joback Calculated Property
Cp,gas	200.49	J/mol×K	488.06	Joback Calculated Property
Cp,gas	214.07	J/mol×K	525.76	Joback Calculated Property
Cp,gas	226.79	J/mol×K	563.45	Joback Calculated Property
Cp,gas	238.69	J/mol×K	601.14	Joback Calculated Property
Cp,gas	249.79	J/mol×K	638.83	Joback Calculated Property
η	[0.0001978; 0.0200035]	Pa×s	[186.78; 412.68]
η	0.0200035	Pa×s	186.78	Joback Calculated Property
η	0.0048607	Pa×s	224.43	Joback Calculated Property
η	0.0017735	Pa×s	262.08	Joback Calculated Property
η	0.0008336	Pa×s	299.73	Joback Calculated Property
η	0.0004637	Pa×s	337.38	Joback Calculated Property
η	0.0002902	Pa×s	375.03	Joback Calculated Property
η	0.0001978	Pa×s	412.68	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[306.92; 446.61]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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