Chemical Properties of Propiovanillone

InChI

InChI=1S/C10H12O3/c1-3-8(11)7-4-5-9(12)10(6-7)13-2/h4-6,12H,3H2,1-2H3

InChI Key

FBGXENQFSMMBNY-UHFFFAOYSA-N

Formula

C10H12O3

SMILES

CCC(=O)c1ccc(O)c(OC)c1

Molecular Weight¹

180.20

Other Names

• Propioguaiacone
• 1-(4-hydroxy-3-methoxyphenyl)propanone (propiovanillone)
• 1-(4-Hydroxy-3-methoxyphenyl)-1-propanone (propiovanillone)
• 1-Propanone, 1-(4-hydroxy-3-methoxyphenyl)
• 1-(4-hydroxy-3-methoxyphenyl)propanone
• Propiophenone, 4'-hydroxy-3'-methoxy

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-461.53	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.88	kJ/mol	Joback Calculated Property
ΔvapH°	82.22	kJ/mol	Relay (1.0) Calculated Property
IE	8.31	eV	Relay (1.0) Calculated Property
log10WS	-2.08		Relay (1.0) Calculated Property
logPoct/wat	1.993		Crippen Calculated Property
McVol	141.310	ml/mol	McGowan Calculated Property
Inp	[1521.00; 1582.00]
Inp	1582.00		NIST
Inp	1582.00		NIST
Inp	1529.00		NIST
Inp	1521.00		NIST
Inp	1582.00		NIST
Inp	1529.00		NIST
I	[2677.00; 2719.00]
I	2693.00		NIST
I	2693.00		NIST
I	2693.00		NIST
I	2677.00		NIST
I	2719.00		NIST
I	2719.00		NIST
Tboil	557.23	K	Relay (1.0) Calculated Property
Tfus	382.29	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[349.49; 410.85]	J/mol×K	[616.97; 841.44]
Cp,gas	349.49	J/mol×K	616.97	Joback Calculated Property
Cp,gas	361.36	J/mol×K	654.38	Joback Calculated Property
Cp,gas	372.51	J/mol×K	691.79	Joback Calculated Property
Cp,gas	382.97	J/mol×K	729.21	Joback Calculated Property
Cp,gas	392.81	J/mol×K	766.62	Joback Calculated Property
Cp,gas	402.09	J/mol×K	804.03	Joback Calculated Property
Cp,gas	410.85	J/mol×K	841.44	Joback Calculated Property
η	[0.0000306; 0.0006184]	Pa×s	[425.28; 616.97]
η	0.0006184	Pa×s	425.28	Joback Calculated Property
η	0.0003145	Pa×s	457.23	Joback Calculated Property
η	0.0001747	Pa×s	489.18	Joback Calculated Property
η	0.0001043	Pa×s	521.12	Joback Calculated Property
η	0.0000661	Pa×s	553.07	Joback Calculated Property
η	0.0000440	Pa×s	585.02	Joback Calculated Property
η	0.0000306	Pa×s	616.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propiovanillone.

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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