Chemical Properties of 2-methylpropiovanillone

InChI

InChI=1S/C11H14O3/c1-4-9(12)8-5-6-10(13)11(14-3)7(8)2/h5-6,13H,4H2,1-3H3

InChI Key

ITMQIDBFFCXSCX-UHFFFAOYSA-N

Formula

C11H14O3

SMILES

CCC(=O)c1ccc(O)c(OC)c1C

Molecular Weight¹

194.23

• 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.08	kJ/mol	Joback Calculated Property
logPoct/wat	2.302		Crippen Calculated Property
McVol	155.400	ml/mol	McGowan Calculated Property
Inp	[1611.00; 1611.00]
Inp	1611.00		NIST
Inp	1611.00		NIST
Tboil	558.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[396.40; 461.50]	J/mol×K	[644.63; 865.86]
Cp,gas	396.40	J/mol×K	644.63	Joback Calculated Property
Cp,gas	408.86	J/mol×K	681.50	Joback Calculated Property
Cp,gas	420.62	J/mol×K	718.37	Joback Calculated Property
Cp,gas	431.71	J/mol×K	755.24	Joback Calculated Property
Cp,gas	442.19	J/mol×K	792.11	Joback Calculated Property
Cp,gas	452.10	J/mol×K	828.99	Joback Calculated Property
Cp,gas	461.50	J/mol×K	865.86	Joback Calculated Property
η	[0.0000238; 0.0003955]	Pa×s	[449.07; 644.63]
η	0.0003955	Pa×s	449.07	Joback Calculated Property
η	0.0002113	Pa×s	481.66	Joback Calculated Property
η	0.0001223	Pa×s	514.26	Joback Calculated Property
η	0.0000755	Pa×s	546.85	Joback Calculated Property
η	0.0000492	Pa×s	579.44	Joback Calculated Property
η	0.0000336	Pa×s	612.04	Joback Calculated Property
η	0.0000238	Pa×s	644.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-methylpropiovanillone.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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