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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7041		Relay (... Calculated Property
ΔfG°	-253.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-475.87	kJ/mol	Relay (... Calculated Property
ΔfusH°	26.08	kJ/mol	Joback Calculated Property
ΔvapH°	80.36	kJ/mol	Relay (... Calculated Property
IE	8.12	eV	Relay (... Calculated Property
log10WS	-2.10		Relay (... 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	558.58	K	Relay (... Calculated Property
Tc	790.78	K	Relay (... Calculated Property
Tfus	362.77	K	Relay (... Calculated Property
Vc	0.555	m3/kmol	Relay (... Calculated Property

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)
• 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.