Chemical Properties of 10-Methyldodec-3-en-4-olide

InChI

InChI=1S/C13H22O2/c1-3-11(2)7-5-4-6-8-12-9-10-13(14)15-12/h9,11H,3-8,10H2,1-2H3

InChI Key

LXECKBJXFXENSF-UHFFFAOYSA-N

Formula

C13H22O2

SMILES

CCC(C)CCCCCC1=CCC(=O)O1

Molecular Weight¹

210.32

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.17	kJ/mol	Joback Calculated Property
logPoct/wat	3.814		Crippen Calculated Property
McVol	186.310	ml/mol	McGowan Calculated Property
Inp	[1663.00; 1663.00]
Inp	1663.00		NIST
Inp	1663.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, 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	[267.65; 637.40]	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			-1.93040e+01
Coefficient B			1.25184e+00
Coefficient C			-7.87840e-04
Coefficient D			1.92700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	267.65	J/mol×K	273.00	Calculated Property
Cp,gas	333.50	J/mol×K	353.78	Calculated Property
Cp,gas	391.73	J/mol×K	434.56	Calculated Property
Cp,gas	442.96	J/mol×K	515.33	Calculated Property
Cp,gas	487.79	J/mol×K	596.11	Calculated Property
Cp,gas	526.84	J/mol×K	676.89	Calculated Property
Cp,gas	560.72	J/mol×K	757.67	Calculated Property
Cp,gas	590.03	J/mol×K	838.44	Calculated Property
Cp,gas	615.39	J/mol×K	919.22	Calculated Property
Cp,gas	637.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034140; 0.0003640]	Pa×s	[299.06; 527.20]	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			-1.08524e+01
Coefficient B			1.54689e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			299.06
Temperature range, max.			527.20
η	0.0034140	Pa×s	299.06	Calculated Property
η	0.0022789	Pa×s	324.41	Calculated Property
η	0.0016130	Pa×s	349.76	Calculated Property
η	0.0011963	Pa×s	375.11	Calculated Property
η	0.0009215	Pa×s	400.46	Calculated Property
η	0.0007322	Pa×s	425.80	Calculated Property
η	0.0005970	Pa×s	451.15	Calculated Property
η	0.0004974	Pa×s	476.50	Calculated Property
η	0.0004222	Pa×s	501.85	Calculated Property
η	0.0003640	Pa×s	527.20	Calculated Property

Similar Compounds

Find more compounds similar to 10-Methyldodec-3-en-4-olide.

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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