Chemical Properties of 1,5,9-Cyclododecatriene (CAS 4904-61-4)

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

InChI Key

ZOLLIQAKMYWTBR-UHFFFAOYSA-N

Formula

C12H18

SMILES

C1=CCCC=CCCC=CCC1

Molecular Weight¹

162.28

CAS

4904-61-4

Other Names

• CDT
• Cyclododecatriene
• cis,trans,trans-Cyclododeca-1,5,9-triene
• 1,5,9-Cyclododecatriene (Z,E,E)
• UN 2518
• 1,5,9-Cyclooctatriene
• cyclododeca-1,5,9-triene
• 1-cis-5-trans-9-trans-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).
• 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).
• 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	0.1835		Relay (1.0) Calculated Property
ΔfG°	99.60	kJ/mol	Joback Calculated Property
ΔfH°gas	21.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.67	kJ/mol	Joback Calculated Property
ΔvapH°	61.71	kJ/mol	Relay (1.0) Calculated Property
IE	8.31	eV	Relay (1.0) Calculated Property
log10WS	-4.32		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	[1256.00; 1256.00]
Inp	1256.00		NIST
Inp	1256.00		NIST
Tboil	513.19	K	Relay (1.0) Calculated Property
Tc	665.04	K	Relay (1.0) Calculated Property
Tfus	254.59	K	Relay (1.0) Calculated Property
Vc	0.505	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[47.80; 60.00]	kJ/mol	[365.50; 464.50]
ΔvapH	49.90	kJ/mol	365.50	NIST
ΔvapH	60.00	kJ/mol	411.50	NIST
ΔvapH	47.80	kJ/mol	464.50	NIST

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

Similar Compounds

Find more compounds similar to 1,5,9-Cyclododecatriene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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