Chemical Properties of «gamma»-dodec-cis-6,cis-9-dienolactone

InChI

InChI=1S/C12H18O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h3-4,6-7,11H,2,5,8-10H2,1H3/b4-3-,7-6-

InChI Key

YNHBLISDDXOUDQ-CWWKMNTPSA-N

Formula

C12H18O2

SMILES

CCC=CCC=CCC1CCC(=O)O1

Molecular Weight¹

194.27

Other Names

• cis,cis-«gamma»-6,9-Dodecadienelactone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-408.05	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.74	kJ/mol	Joback Calculated Property
ΔvapH°	80.44	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.995		Crippen Calculated Property
McVol	167.920	ml/mol	McGowan Calculated Property
Ip	[2505.00; 2505.00]
Ip	2505.00		NIST
Ip	2505.00		NIST
Tboil	584.47	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[224.94; 565.10]	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			-6.12170e+01
Coefficient B			1.27992e+00
Coefficient C			-9.22200e-04
Coefficient D			2.68600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	224.94	J/mol×K	273.00	Calculated Property
Cp,gas	288.06	J/mol×K	353.78	Calculated Property
Cp,gas	342.87	J/mol×K	434.56	Calculated Property
Cp,gas	390.22	J/mol×K	515.33	Calculated Property
Cp,gas	430.95	J/mol×K	596.11	Calculated Property
Cp,gas	465.92	J/mol×K	676.89	Calculated Property
Cp,gas	495.96	J/mol×K	757.67	Calculated Property
Cp,gas	521.95	J/mol×K	838.44	Calculated Property
Cp,gas	544.71	J/mol×K	919.22	Calculated Property
Cp,gas	565.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0026763; 0.0003077]	Pa×s	[275.11; 518.89]	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			-1.05277e+01
Coefficient B			1.26672e+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.			275.11
Temperature range, max.			518.89
η	0.0026763	Pa×s	275.11	Calculated Property
η	0.0017713	Pa×s	302.20	Calculated Property
η	0.0012547	Pa×s	329.28	Calculated Property
η	0.0009366	Pa×s	356.37	Calculated Property
η	0.0007287	Pa×s	383.46	Calculated Property
η	0.0005860	Pa×s	410.54	Calculated Property
η	0.0004841	Pa×s	437.63	Calculated Property
η	0.0004089	Pa×s	464.71	Calculated Property
η	0.0003519	Pa×s	491.80	Calculated Property
η	0.0003077	Pa×s	518.89	Calculated Property

Similar Compounds

Find more compounds similar to «gamma»-dodec-cis-6,cis-9-dienolactone.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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