Chemical Properties of 1,5,9-Cyclododecatriene, (Z,Z,Z)- (CAS 4736-48-5)

InChI

InChI=1S/C12H18/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2,7-10H,3-6,11-12H2/b2-1-,9-7-,10-8-

InChI Key

ZOLLIQAKMYWTBR-MOLCZBCNSA-N

Formula

C12H18

SMILES

C1=C\CC/C=C\CC/C=C\CC/1

Molecular Weight¹

162.28

CAS

4736-48-5

Other Names

• 1,5,9-Cyclododecatriene, cis,cis,cis-
• cis,cis,cis-1,5,9-Cyclododecatriene

• 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_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	0.1994		Relay (1.0) Calculated Property
ΔfG°	99.60	kJ/mol	Joback Calculated Property
ΔfH°gas	93.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.67	kJ/mol	Joback Calculated Property
ΔvapH°	64.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.35	eV	Relay (1.0) Calculated Property
log10WS	-4.08		Relay (1.0) Calculated Property
logPoct/wat	4.009		Crippen Calculated Property
McVol	156.180	ml/mol	McGowan Calculated Property
Pc	2847.48	kPa	Joback Calculated Property
Inp	[1290.00; 1294.00]
Inp	1294.00		NIST
Inp	1290.00		NIST
Inp	1294.00		NIST
Tboil	508.90	K	Relay (1.0) Calculated Property
Tc	668.22	K	Relay (1.0) Calculated Property
Tfus	244.59	K	Relay (1.0) Calculated Property
Vc	0.497	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[170.89; 533.61]	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			-8.69500e+01
Coefficient B			1.06680e+00
Coefficient C			-4.48840e-04
Coefficient D			2.60000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.89	J/mol×K	273.00	Calculated Property
Cp,gas	234.40	J/mol×K	353.78	Calculated Property
Cp,gas	292.09	J/mol×K	434.56	Calculated Property
Cp,gas	343.97	J/mol×K	515.33	Calculated Property
Cp,gas	390.04	J/mol×K	596.11	Calculated Property
Cp,gas	430.31	J/mol×K	676.89	Calculated Property
Cp,gas	464.80	J/mol×K	757.67	Calculated Property
Cp,gas	493.51	J/mol×K	838.44	Calculated Property
Cp,gas	516.44	J/mol×K	919.22	Calculated Property
Cp,gas	533.61	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1073633; 0.0000498]	Pa×s	[217.78; 538.84]	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			-1.51127e+01
Coefficient B			2.80526e+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.			217.78
Temperature range, max.			538.84
η	0.1073633	Pa×s	217.78	Calculated Property
η	0.0175180	Pa×s	253.45	Calculated Property
η	0.0044710	Pa×s	289.13	Calculated Property
η	0.0015403	Pa×s	324.80	Calculated Property
η	0.0006552	Pa×s	360.47	Calculated Property
η	0.0003251	Pa×s	396.14	Calculated Property
η	0.0001811	Pa×s	431.82	Calculated Property
η	0.0001103	Pa×s	467.49	Calculated Property
η	0.0000721	Pa×s	503.16	Calculated Property
η	0.0000498	Pa×s	538.84	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[335.41; 568.35]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.09261e+01
Coefficient B			-2.76954e+03
Coefficient C			-7.50810e+01
Temperature range, min.			335.41
Temperature range, max.			568.35
Pvap	1.33	kPa	335.41	Calculated Property
Pvap	3.49	kPa	361.29	Calculated Property
Pvap	7.78	kPa	387.17	Calculated Property
Pvap	15.36	kPa	413.06	Calculated Property
Pvap	27.51	kPa	438.94	Calculated Property
Pvap	45.60	kPa	464.82	Calculated Property
Pvap	70.99	kPa	490.70	Calculated Property
Pvap	104.91	kPa	516.59	Calculated Property
Pvap	148.49	kPa	542.47	Calculated Property
Pvap	202.64	kPa	568.35	Calculated Property

Similar Compounds

Find more compounds similar to 1,5,9-Cyclododecatriene, (Z,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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