Chemical Properties of (Z,E,E)-1,5,9-Cyclododecatriene, 3-methyl

InChI

InChI=1S/C13H20/c1-13-11-9-7-5-3-2-4-6-8-10-12-13/h2-3,8-11,13H,4-7,12H2,1H3/b3-2+,10-8+,11-9-

InChI Key

OQDOPRBIIHXPJP-OPEKIRMPSA-N

Formula

C13H20

SMILES

CC1C=CCCC=CCCC=CC1

Molecular Weight¹

176.30

• 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).
• 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
ΔfG°	100.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-120.95	kJ/mol	Joback Calculated Property
ΔfusH°	12.33	kJ/mol	Joback Calculated Property
ΔvapH°	46.87	kJ/mol	Joback Calculated Property
log10WS	-4.48		Crippen Calculated Property
logPoct/wat	4.255		Crippen Calculated Property
McVol	170.270	ml/mol	McGowan Calculated Property
Pc	2492.52	kPa	Joback Calculated Property
Inp	[1315.00; 1315.00]
Inp	1315.00		NIST
Inp	1315.00		NIST
Tboil	539.49	K	Joback Calculated Property
Tc	782.60	K	Joback Calculated Property
Tfus	224.81	K	Joback Calculated Property
Vc	0.607	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[398.08; 525.73]	J/mol×K	[539.49; 782.60]
Cp,gas	398.08	J/mol×K	539.49	Joback Calculated Property
Cp,gas	423.24	J/mol×K	580.01	Joback Calculated Property
Cp,gas	446.86	J/mol×K	620.53	Joback Calculated Property
Cp,gas	468.92	J/mol×K	661.04	Joback Calculated Property
Cp,gas	489.42	J/mol×K	701.56	Joback Calculated Property
Cp,gas	508.36	J/mol×K	742.08	Joback Calculated Property
Cp,gas	525.73	J/mol×K	782.60	Joback Calculated Property
η	[0.0000563; 0.0547834]	Pa×s	[224.81; 539.49]
η	0.0547834	Pa×s	224.81	Joback Calculated Property
η	0.0058834	Pa×s	277.26	Joback Calculated Property
η	0.0012850	Pa×s	329.70	Joback Calculated Property
η	0.0004261	Pa×s	382.15	Joback Calculated Property
η	0.0001844	Pa×s	434.60	Joback Calculated Property
η	0.0000956	Pa×s	487.04	Joback Calculated Property
η	0.0000563	Pa×s	539.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z,E,E)-1,5,9-Cyclododecatriene, 3-methyl.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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