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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-253.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-478.89	kJ/mol	Joback Calculated Property
ΔfusH°	26.08	kJ/mol	Joback Calculated Property
ΔvapH°	65.85	kJ/mol	Joback Calculated Property
log10WS	-2.69		Crippen Calculated Property
logPoct/wat	2.302		Crippen Calculated Property
McVol	155.400	ml/mol	McGowan Calculated Property
Pc	3163.27	kPa	Joback Calculated Property
Inp	[1611.00; 1611.00]
Inp	1611.00		NIST
Inp	1611.00		NIST
Tboil	644.63	K	Joback Calculated Property
Tc	865.86	K	Joback Calculated Property
Tfus	449.07	K	Joback Calculated Property
Vc	0.533	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[396.40; 461.50]	J/mol×K	[644.63; 865.86]
T(K) Ideal gas heat capacity (J/mol×K) 390 400 410 420 430 440 450 460 700 800
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]
T(K) Dynamic viscosity (Pa×s) 0 5.00e-5 1.00e-4 1.50e-4 2.00e-4 2.50e-4 3.00e-4 3.50e-4 4.00e-4 450 500 550 600
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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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