Chemical Properties of (2E,4E)-Methyl 5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienoate (CAS 6190-46-1)

InChI

InChI=1S/C13H12O4/c1-15-13(14)5-3-2-4-10-6-7-11-12(8-10)17-9-16-11/h2-8H,9H2,1H3/b4-2+,5-3+

InChI Key

VOZJBFJHMHRLDN-ZUVMSYQZSA-N

Formula

C13H12O4

SMILES

COC(=O)C=CC=Cc1ccc2c(c1)OCO2

Molecular Weight¹

232.23

CAS

6190-46-1

• 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).
• 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
ΔfG°	-25.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-279.28	kJ/mol	Joback Calculated Property
ΔfusH°	38.90	kJ/mol	Joback Calculated Property
ΔvapH°	66.45	kJ/mol	Joback Calculated Property
log10WS	-2.90		Crippen Calculated Property
logPoct/wat	2.158		Crippen Calculated Property
McVol	169.990	ml/mol	McGowan Calculated Property
Pc	2859.68	kPa	Joback Calculated Property
Inp	[2081.70; 2081.70]
Inp	2081.70		NIST
Inp	2081.70		NIST
Tboil	683.40	K	Joback Calculated Property
Tc	915.31	K	Joback Calculated Property
Tfus	425.05	K	Joback Calculated Property
Vc	0.639	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[440.74; 505.37]	J/mol×K	[683.40; 915.31]
Cp,gas	440.74	J/mol×K	683.40	Joback Calculated Property
Cp,gas	453.47	J/mol×K	722.05	Joback Calculated Property
Cp,gas	465.30	J/mol×K	760.70	Joback Calculated Property
Cp,gas	476.31	J/mol×K	799.35	Joback Calculated Property
Cp,gas	486.60	J/mol×K	838.01	Joback Calculated Property
Cp,gas	496.26	J/mol×K	876.66	Joback Calculated Property
Cp,gas	505.37	J/mol×K	915.31	Joback Calculated Property
η	[0.0002326; 0.0013437]	Pa×s	[425.05; 683.40]
η	0.0013437	Pa×s	425.05	Joback Calculated Property
η	0.0008770	Pa×s	468.11	Joback Calculated Property
η	0.0006150	Pa×s	511.17	Joback Calculated Property
η	0.0004558	Pa×s	554.23	Joback Calculated Property
η	0.0003527	Pa×s	597.28	Joback Calculated Property
η	0.0002825	Pa×s	640.34	Joback Calculated Property
η	0.0002326	Pa×s	683.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to (2E,4E)-Methyl 5-(benzo[d][1,3]dioxol-5-yl)penta-2,4-dienoate.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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