Chemical Properties of 2-Propenoic acid, 3-(4-methoxyphenyl)- (CAS 830-09-1)

InChI

InChI=1S/C10H10O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-4+

InChI Key

AFDXODALSZRGIH-QPJJXVBHSA-N

Formula

C10H10O3

SMILES

COc1ccc(C=CC(=O)O)cc1

Molecular Weight¹

178.18

CAS

830-09-1

Other Names

• 4-Methoxycinnamic acid
• p-Methoxycinnamic acid
• Cinnamic acid, p-methoxy-
• Cinnamic acid, 4-methoxy-
• Methoxycinnamic acid, para
• O-Methyl-p-coumaric acid
• 3-(4-Methoxy-phenyl)-acrylic acid
• 3-(4-Methoxyphenyl)-2-propenoic acid
• NSC 5303
• trans-4-methoxycinnamic acid

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• 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).
• 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
ΔcH°solid	[-4878.10; -4871.00]	kJ/mol
ΔcH°solid	-4878.10	kJ/mol	NIST
ΔcH°solid	-4871.00	kJ/mol	NIST
ΔfH°gas	-387.72	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-485.80	kJ/mol	NIST
ΔfusH°	26.84	kJ/mol	Joback Calculated Property
ΔvapH°	94.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.24	eV	Relay (1.0) Calculated Property
log10WS	-2.58		Relay (1.0) Calculated Property
logPoct/wat	1.793		Crippen Calculated Property
McVol	137.010	ml/mol	McGowan Calculated Property
Tboil	596.60	K	Relay (1.0) Calculated Property
Tfus	412.00 ± 3.00	K	NIST

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	[331.27; 388.07]	J/mol×K	[632.15; 859.59]
Cp,gas	331.27	J/mol×K	632.15	Joback Calculated Property
Cp,gas	342.54	J/mol×K	670.06	Joback Calculated Property
Cp,gas	353.03	J/mol×K	707.96	Joback Calculated Property
Cp,gas	362.79	J/mol×K	745.87	Joback Calculated Property
Cp,gas	371.85	J/mol×K	783.78	Joback Calculated Property
Cp,gas	380.26	J/mol×K	821.68	Joback Calculated Property
Cp,gas	388.07	J/mol×K	859.59	Joback Calculated Property
η	[0.0001440; 0.0007798]	Pa×s	[419.15; 632.15]
η	0.0007798	Pa×s	419.15	Joback Calculated Property
η	0.0005272	Pa×s	454.65	Joback Calculated Property
η	0.0003772	Pa×s	490.15	Joback Calculated Property
η	0.0002824	Pa×s	525.65	Joback Calculated Property
η	0.0002193	Pa×s	561.15	Joback Calculated Property
η	0.0001755	Pa×s	596.65	Joback Calculated Property
η	0.0001440	Pa×s	632.15	Joback Calculated Property
ΔfusH	2.49	kJ/mol	461.90	NIST

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 3-(4-methoxyphenyl)-.

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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