Chemical Properties of 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester (CAS 7560-49-8)

InChI

InChI=1S/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3/b6-5+

InChI Key

KLXHCGFNNUQTEY-AATRIKPKSA-N

Formula

C13H16O5

SMILES

COC(=O)C=Cc1cc(OC)c(OC)c(OC)c1

Molecular Weight¹

252.26

CAS

7560-49-8

Other Names

• Cinnamic acid, 3,4,5-trimethoxy-, methyl ester
• Methyl 3,4,5-trimethoxycinnamate
• Methyl ester of 3,4,5-Trimethoxycinnamic acid
• Sinapic acid, O,O'-dimethyl-
• Methyl (2E)-3-(3,4,5-trimethoxyphenyl)-2-propenoate
• 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester, trans

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	28.85	kJ/mol	Joback Calculated Property
IE	7.98	eV	Relay (1.0) Calculated Property
log10WS	-2.80		Relay (1.0) Calculated Property
logPoct/wat	1.899		Crippen Calculated Property
McVol	191.020	ml/mol	McGowan Calculated Property
Inp	[1966.00; 2030.00]
Inp	2030.00		NIST
Inp	1966.00		NIST
Tboil	593.84	K	Relay (1.0) Calculated Property
Tfus	394.07	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[498.43; 570.06]	J/mol×K	[686.17; 893.75]
Cp,gas	498.43	J/mol×K	686.17	Joback Calculated Property
Cp,gas	512.36	J/mol×K	720.77	Joback Calculated Property
Cp,gas	525.53	J/mol×K	755.36	Joback Calculated Property
Cp,gas	537.90	J/mol×K	789.96	Joback Calculated Property
Cp,gas	549.47	J/mol×K	824.56	Joback Calculated Property
Cp,gas	560.19	J/mol×K	859.15	Joback Calculated Property
Cp,gas	570.06	J/mol×K	893.75	Joback Calculated Property
η	[0.0000688; 0.0004157]	Pa×s	[434.02; 686.17]
η	0.0004157	Pa×s	434.02	Joback Calculated Property
η	0.0002698	Pa×s	476.05	Joback Calculated Property
η	0.0001879	Pa×s	518.07	Joback Calculated Property
η	0.0001381	Pa×s	560.10	Joback Calculated Property
η	0.0001060	Pa×s	602.12	Joback Calculated Property
η	0.0000842	Pa×s	644.15	Joback Calculated Property
η	0.0000688	Pa×s	686.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenoic acid, 3-(3,4,5-trimethoxyphenyl)-, methyl ester.

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.
These property values are available through the Cheméo API. A free account gives you an access key.