Chemical Properties of 1,3,5-undecatriene (CAS 16356-11-9)

InChI

InChI=1S/C11H18/c1-3-5-7-9-11-10-8-6-4-2/h3,5,7,9,11H,1,4,6,8,10H2,2H3/b7-5?,11-9+

InChI Key

JQQDKNVOSLONRS-NYCRTDSVSA-N

Formula

C11H18

SMILES

C=CC=CC=CCCCCC

Molecular Weight¹

150.26

CAS

16356-11-9

Other Names

• Undeca-1,3,5-triene (Isomer 1)
• undeca-1,3,5-triene

• 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.
• I : 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	0.3642		Relay (1.0) Calculated Property
ΔfG°	290.02	kJ/mol	Joback Calculated Property
ΔfH°gas	13.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.37	kJ/mol	Joback Calculated Property
ΔvapH°	51.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.16	eV	Relay (1.0) Calculated Property
log10WS	-4.94		Relay (1.0) Calculated Property
logPoct/wat	3.865		Crippen Calculated Property
McVol	152.950	ml/mol	McGowan Calculated Property
Pc	2208.29	kPa	Joback Calculated Property
Inp	[1170.00; 1187.00]
Inp	1170.00		NIST
Inp	1174.00		NIST
Inp	1178.00		NIST
Inp	Outlier 1187.00		NIST
Inp	1175.00		NIST
Inp	1175.00		NIST
Inp	1174.00		NIST
I	1399.00		NIST
Tboil	446.82	K	Relay (1.0) Calculated Property
Tc	635.81	K	Relay (1.0) Calculated Property
Tfus	269.59	K	Relay (1.0) Calculated Property
Vc	0.554	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[201.02; 497.15]	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			-3.84660e+01
Coefficient B			1.06882e+00
Coefficient C			-7.65100e-04
Coefficient D			2.31900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	201.02	J/mol×K	273.00	Calculated Property
Cp,gas	254.17	J/mol×K	353.78	Calculated Property
Cp,gas	300.55	J/mol×K	434.56	Calculated Property
Cp,gas	340.88	J/mol×K	515.33	Calculated Property
Cp,gas	375.92	J/mol×K	596.11	Calculated Property
Cp,gas	406.37	J/mol×K	676.89	Calculated Property
Cp,gas	432.99	J/mol×K	757.67	Calculated Property
Cp,gas	456.51	J/mol×K	838.44	Calculated Property
Cp,gas	477.65	J/mol×K	919.22	Calculated Property
Cp,gas	497.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047896; 0.0001687]	Pa×s	[201.81; 445.89]	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			-1.14536e+01
Coefficient B			1.23352e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			201.81
Temperature range, max.			445.89
η	0.0047896	Pa×s	201.81	Calculated Property
η	0.0023218	Pa×s	228.93	Calculated Property
η	0.0013122	Pa×s	256.05	Calculated Property
η	0.0008272	Pa×s	283.17	Calculated Property
η	0.0005653	Pa×s	310.29	Calculated Property
η	0.0004107	Pa×s	337.41	Calculated Property
η	0.0003129	Pa×s	364.53	Calculated Property
η	0.0002475	Pa×s	391.65	Calculated Property
η	0.0002018	Pa×s	418.77	Calculated Property
η	0.0001687	Pa×s	445.89	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[371.48; 498.74]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.69014e+01
Coefficient B			-4.87774e+03
Coefficient C			-7.78840e+01
Temperature range, min.			371.48
Temperature range, max.			498.74
Pvap	1.33	kPa	371.48	Calculated Property
Pvap	2.86	kPa	385.62	Calculated Property
Pvap	5.74	kPa	399.76	Calculated Property
Pvap	10.86	kPa	413.90	Calculated Property
Pvap	19.52	kPa	428.04	Calculated Property
Pvap	33.51	kPa	442.18	Calculated Property
Pvap	55.27	kPa	456.32	Calculated Property
Pvap	87.92	kPa	470.46	Calculated Property
Pvap	135.42	kPa	484.60	Calculated Property
Pvap	202.62	kPa	498.74	Calculated Property

Similar Compounds

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

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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