Chemical Properties of 1,11-Dodecadiene (CAS 5876-87-9)

InChI

InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4H,1-2,5-12H2

InChI Key

IYPLTVKTLDQUGG-UHFFFAOYSA-N

Formula

C12H22

SMILES

C=CCCCCCCCCC=C

Molecular Weight¹

166.30

CAS

5876-87-9

Other Names

• Dodecadiene, 1,11-

• 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).
• 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	0.5179		Relay (1.0) Calculated Property
ΔfG°	225.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-94.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.28	kJ/mol	Joback Calculated Property
ΔvapH°	60.67	kJ/mol	Relay (1.0) Calculated Property
IE	9.22	eV	Relay (1.0) Calculated Property
log10WS	-5.70		Relay (1.0) Calculated Property
logPoct/wat	4.479		Crippen Calculated Property
McVol	171.340	ml/mol	McGowan Calculated Property
Pc	1913.58	kPa	Joback Calculated Property
Inp	[1169.00; 1179.00]
Inp	1169.00		NIST
Inp	1179.00		NIST
Inp	1169.00		NIST
I	[1342.00; 1342.00]
I	1342.00		NIST
I	1342.00		NIST
Tboil	479.40	K	Relay (1.0) Calculated Property
Tc	661.73	K	Relay (1.0) Calculated Property
Tfus	248.21	K	Relay (1.0) Calculated Property
Vc	0.646	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[240.43; 581.40]	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			-1.40020e+01
Coefficient B			1.10380e+00
Coefficient C			-6.74800e-04
Coefficient D			1.66400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	240.43	J/mol×K	273.00	Calculated Property
Cp,gas	299.41	J/mol×K	353.78	Calculated Property
Cp,gas	351.89	J/mol×K	434.56	Calculated Property
Cp,gas	398.39	J/mol×K	515.33	Calculated Property
Cp,gas	439.44	J/mol×K	596.11	Calculated Property
Cp,gas	475.58	J/mol×K	676.89	Calculated Property
Cp,gas	507.31	J/mol×K	757.67	Calculated Property
Cp,gas	535.17	J/mol×K	838.44	Calculated Property
Cp,gas	559.70	J/mol×K	919.22	Calculated Property
Cp,gas	581.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048575; 0.0002503]	Pa×s	[221.48; 444.19]	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			-1.12422e+01
Coefficient B			1.31004e+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.			221.48
Temperature range, max.			444.19
η	0.0048575	Pa×s	221.48	Calculated Property
η	0.0026807	Pa×s	246.23	Calculated Property
η	0.0016491	Pa×s	270.97	Calculated Property
η	0.0011004	Pa×s	295.72	Calculated Property
η	0.0007816	Pa×s	320.46	Calculated Property
η	0.0005831	Pa×s	345.21	Calculated Property
η	0.0004524	Pa×s	369.95	Calculated Property
η	0.0003623	Pa×s	394.70	Calculated Property
η	0.0002979	Pa×s	419.44	Calculated Property
η	0.0002503	Pa×s	444.19	Calculated Property

Similar Compounds

Find more compounds similar to 1,11-Dodecadiene.

Sources

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

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