Chemical Properties of 10-Methyldodec-2-en-4-olide

InChI

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

InChI Key

OFMQUACVCCNBRR-UHFFFAOYSA-N

Formula

C13H22O2

SMILES

CCC(C)CCCCCC1C=CC(=O)O1

Molecular Weight¹

210.31

• 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°	29.63	kJ/mol	Joback Calculated Property
logPoct/wat	3.465		Crippen Calculated Property
McVol	186.310	ml/mol	McGowan Calculated Property
Inp	[1758.00; 1758.00]
Inp	1758.00		NIST
Inp	1758.00		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	[267.37; 647.10]	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			-2.76640e+01
Coefficient B			1.28484e+00
Coefficient C			-7.99480e-04
Coefficient D			1.89400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	267.37	J/mol×K	273.00	Calculated Property
Cp,gas	335.21	J/mol×K	353.78	Calculated Property
Cp,gas	395.24	J/mol×K	434.56	Calculated Property
Cp,gas	448.06	J/mol×K	515.33	Calculated Property
Cp,gas	494.27	J/mol×K	596.11	Calculated Property
Cp,gas	534.47	J/mol×K	676.89	Calculated Property
Cp,gas	569.25	J/mol×K	757.67	Calculated Property
Cp,gas	599.21	J/mol×K	838.44	Calculated Property
Cp,gas	624.96	J/mol×K	919.22	Calculated Property
Cp,gas	647.10	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035757; 0.0004023]	Pa×s	[282.30; 519.60]	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			-1.04174e+01
Coefficient B			1.35046e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			282.30
Temperature range, max.			519.60
η	0.0035757	Pa×s	282.30	Calculated Property
η	0.0023762	Pa×s	308.67	Calculated Property
η	0.0016841	Pa×s	335.03	Calculated Property
η	0.0012550	Pa×s	361.40	Calculated Property
η	0.0009734	Pa×s	387.77	Calculated Property
η	0.0007798	Pa×s	414.13	Calculated Property
η	0.0006415	Pa×s	440.50	Calculated Property
η	0.0005396	Pa×s	466.86	Calculated Property
η	0.0004623	Pa×s	493.23	Calculated Property
η	0.0004023	Pa×s	519.60	Calculated Property

Similar Compounds

Find more compounds similar to 10-Methyldodec-2-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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