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

InChI

InChI=1S/C12H20O2/c1-10(2)6-4-3-5-7-11-8-9-12(13)14-11/h8-11H,3-7H2,1-2H3

InChI Key

MVMDDTZDLWMWNW-UHFFFAOYSA-N

Formula

C12H20O2

SMILES

CC(C)CCCCCC1C=CC(=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).
• 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°	27.04	kJ/mol	Joback Calculated Property
logPoct/wat	3.075		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
Inp	[1638.00; 1638.00]
Inp	1638.00		NIST
Inp	1638.00		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	[246.15; 595.50]	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			-2.67550e+01
Coefficient B			1.18984e+00
Coefficient C			-7.45080e-04
Coefficient D			1.77500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	246.15	J/mol×K	273.00	Calculated Property
Cp,gas	308.79	J/mol×K	353.78	Calculated Property
Cp,gas	364.16	J/mol×K	434.56	Calculated Property
Cp,gas	412.83	J/mol×K	515.33	Calculated Property
Cp,gas	455.36	J/mol×K	596.11	Calculated Property
Cp,gas	492.30	J/mol×K	676.89	Calculated Property
Cp,gas	524.23	J/mol×K	757.67	Calculated Property
Cp,gas	551.70	J/mol×K	838.44	Calculated Property
Cp,gas	575.27	J/mol×K	919.22	Calculated Property
Cp,gas	595.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035100; 0.0004101]	Pa×s	[271.03; 504.89]	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			-1.02874e+01
Coefficient B			1.25630e+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.			271.03
Temperature range, max.			504.89
η	0.0035100	Pa×s	271.03	Calculated Property
η	0.0023399	Pa×s	297.01	Calculated Property
η	0.0016650	Pa×s	323.00	Calculated Property
η	0.0012464	Pa×s	348.98	Calculated Property
η	0.0009712	Pa×s	374.97	Calculated Property
η	0.0007816	Pa×s	400.95	Calculated Property
η	0.0006459	Pa×s	426.94	Calculated Property
η	0.0005456	Pa×s	452.92	Calculated Property
η	0.0004694	Pa×s	478.91	Calculated Property
η	0.0004101	Pa×s	504.89	Calculated Property

Similar Compounds

Find more compounds similar to 10-Methylundec-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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