Chemical Properties of 4-Methoxycinnamaldehyde (CAS 1963-36-6)

InChI

InChI=1S/C10H10O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-8H,1H3/b3-2+

InChI Key

AXCXHFKZHDEKTP-NSCUHMNNSA-N

Formula

C10H10O2

SMILES

COc1ccc(C=CC=O)cc1

Molecular Weight¹

162.19

CAS

1963-36-6

Other Names

• para-Methoxy cinnamic aldehyde
• p-Methoxycinnamaldehyde
• p-Methoxy cinnamic aldehyde
• 2-Propenal, 3-(4-methoxyphenyl)-
• Cinnamaldehyde, p-methoxy-
• 4-Methoxycinnamic aldehyde
• 3-(4-Methoxyphenyl)-2-propenal
• p-Metoxy Cinnamaldehyde

• 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).
• Δ_fusH : Enthalpy of fusion at a given temperature (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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	18.99	kJ/mol	Joback Calculated Property
ΔvapH°	69.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.20	eV	Relay (1.0) Calculated Property
log10WS	-1.99		Relay (1.0) Calculated Property
logPoct/wat	1.907		Crippen Calculated Property
McVol	131.140	ml/mol	McGowan Calculated Property
Inp	[1505.00; 1567.00]
Inp	1505.00		NIST
Inp	1567.00		NIST
Inp	1564.00		NIST
Inp	1536.00		NIST
Inp	1567.00		NIST
Tboil	555.61	K	Relay (1.0) Calculated Property
Tc	759.66	K	Relay (1.0) Calculated Property
Tfus	325.91	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[282.81; 346.34]	J/mol×K	[535.30; 753.73]
Cp,gas	282.81	J/mol×K	535.30	Joback Calculated Property
Cp,gas	295.16	J/mol×K	571.70	Joback Calculated Property
Cp,gas	306.77	J/mol×K	608.11	Joback Calculated Property
Cp,gas	317.66	J/mol×K	644.51	Joback Calculated Property
Cp,gas	327.87	J/mol×K	680.92	Joback Calculated Property
Cp,gas	337.42	J/mol×K	717.32	Joback Calculated Property
Cp,gas	346.34	J/mol×K	753.73	Joback Calculated Property
η	[0.0001935; 0.0017915]	Pa×s	[300.55; 535.30]
η	0.0017915	Pa×s	300.55	Joback Calculated Property
η	0.0009986	Pa×s	339.68	Joback Calculated Property
η	0.0006280	Pa×s	378.80	Joback Calculated Property
η	0.0004308	Pa×s	417.92	Joback Calculated Property
η	0.0003152	Pa×s	457.05	Joback Calculated Property
η	0.0002423	Pa×s	496.17	Joback Calculated Property
η	0.0001935	Pa×s	535.30	Joback Calculated Property
ΔfusH	19.00	kJ/mol	332.70	NIST

Similar Compounds

Find more compounds similar to 4-Methoxycinnamaldehyde.

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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