Chemical Properties of (Z)-6-Dodecene-7-lactone

InChI

InChI=1S/C12H20O2/c1-2-3-5-8-11-9-6-4-7-10-12(13)14-11/h9H,2-8,10H2,1H3/b11-9-

InChI Key

KBMKBYARCSCTRK-LUAWRHEFSA-N

Formula

C12H20O2

SMILES

CCCCCC1=CCCCCC(=O)O1

Molecular Weight¹

196.29

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	22.80	kJ/mol	Joback Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
logPoct/wat	3.568		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
I	[2398.00; 2398.00]
I	2398.00		NIST
I	2398.00		NIST
Tboil	583.11	K	Relay (1.0) Calculated Property
Tfus	268.62	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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	[232.08; 590.60]	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			-3.20760e+01
Coefficient B			1.12212e+00
Coefficient C			-5.91040e-04
Coefficient D			9.16000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	232.08	J/mol×K	273.00	Calculated Property
Cp,gas	294.99	J/mol×K	353.78	Calculated Property
Cp,gas	351.45	J/mol×K	434.56	Calculated Property
Cp,gas	401.76	J/mol×K	515.33	Calculated Property
Cp,gas	446.21	J/mol×K	596.11	Calculated Property
Cp,gas	485.08	J/mol×K	676.89	Calculated Property
Cp,gas	518.67	J/mol×K	757.67	Calculated Property
Cp,gas	547.26	J/mol×K	838.44	Calculated Property
Cp,gas	571.14	J/mol×K	919.22	Calculated Property
Cp,gas	590.60	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0047330; 0.0001983]	Pa×s	[292.23; 532.47]	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			-1.23854e+01
Coefficient B			2.05502e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			292.23
Temperature range, max.			532.47
η	0.0047330	Pa×s	292.23	Calculated Property
η	0.0026273	Pa×s	318.92	Calculated Property
η	0.0015973	Pa×s	345.62	Calculated Property
η	0.0010429	Pa×s	372.31	Calculated Property
η	0.0007209	Pa×s	399.00	Calculated Property
η	0.0005219	Pa×s	425.69	Calculated Property
η	0.0003926	Pa×s	452.39	Calculated Property
η	0.0003048	Pa×s	479.08	Calculated Property
η	0.0002430	Pa×s	505.77	Calculated Property
η	0.0001983	Pa×s	532.47	Calculated Property

Similar Compounds

Find more compounds similar to (Z)-6-Dodecene-7-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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