Chemical Properties of 6-Dodecenyl-«gamma»-lactone (CAS 15456-69-6)

InChI

InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h6-7,11H,2-5,8-10H2,1H3/b7-6+

InChI Key

QFXOXDSHNXAFEY-VOTSOKGWSA-N

Formula

C12H20O2

SMILES

CCCCCC=CCC1CCC(=O)O1

Molecular Weight¹

196.29

CAS

15456-69-6

Other Names

• 6-dodeceno-«gamma»-lactone
• Dihydro-5-(2-octenyl)-2(3H)-furanone
• 2(3H)-Furanone, dihydro-5-(2-octenyl)
• 6-dodecen-4-olide

• 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_np : Non-polar retention indices.
• I : 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	-482.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.54	kJ/mol	Joback Calculated Property
ΔvapH°	78.81	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.219		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
Inp	[1655.00; 1701.00]
Inp	1701.00		NIST
Inp	1701.00		NIST
Inp	1655.00		NIST
Inp	1661.00		NIST
Inp	1701.00		NIST
I	[2365.00; 2437.00]
I	2390.00		NIST
I	2390.00		NIST
I	2389.00		NIST
I	2389.00		NIST
I	2365.00		NIST
I	2437.00		NIST
I	2437.00		NIST
I	2365.00		NIST
Tboil	587.26	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	[238.94; 595.68]	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			-4.70350e+01
Coefficient B			1.25992e+00
Coefficient C			-8.38400e-04
Coefficient D			2.21200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.94	J/mol×K	273.00	Calculated Property
Cp,gas	303.56	J/mol×K	353.78	Calculated Property
Cp,gas	360.30	J/mol×K	434.56	Calculated Property
Cp,gas	409.86	J/mol×K	515.33	Calculated Property
Cp,gas	452.95	J/mol×K	596.11	Calculated Property
Cp,gas	490.26	J/mol×K	676.89	Calculated Property
Cp,gas	522.48	J/mol×K	757.67	Calculated Property
Cp,gas	550.33	J/mol×K	838.44	Calculated Property
Cp,gas	574.50	J/mol×K	919.22	Calculated Property
Cp,gas	595.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029508; 0.0003696]	Pa×s	[280.19; 510.40]	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			-1.04314e+01
Coefficient B			1.29048e+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.			280.19
Temperature range, max.			510.40
η	0.0029508	Pa×s	280.19	Calculated Property
η	0.0020073	Pa×s	305.77	Calculated Property
η	0.0014492	Pa×s	331.35	Calculated Property
η	0.0010962	Pa×s	356.93	Calculated Property
η	0.0008608	Pa×s	382.51	Calculated Property
η	0.0006967	Pa×s	408.09	Calculated Property
η	0.0005782	Pa×s	433.67	Calculated Property
η	0.0004899	Pa×s	459.24	Calculated Property
η	0.0004224	Pa×s	484.82	Calculated Property
η	0.0003696	Pa×s	510.40	Calculated Property

Similar Compounds

Find more compounds similar to 6-Dodecenyl-«gamma»-lactone.

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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