Chemical Properties of (E)-4-(3,4-Dimethoxyphenyl)but-3-en-1-yl acetate (CAS 69768-98-5)

InChI

InChI=1S/C14H18O4/c1-11(15)18-9-5-4-6-12-7-8-13(16-2)14(10-12)17-3/h4,6-8,10H,5,9H2,1-3H3/b6-4+

InChI Key

LTWAPTPDRUNVGD-GQCTYLIASA-N

Formula

C14H18O4

SMILES

COc1ccc(C=CCCOC(C)=O)cc1OC

Molecular Weight¹

250.29

CAS

69768-98-5

• 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°	-203.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-510.72	kJ/mol	Joback Calculated Property
ΔfusH°	30.64	kJ/mol	Joback Calculated Property
ΔvapH°	64.29	kJ/mol	Joback Calculated Property
log10WS	-3.07		Crippen Calculated Property
logPoct/wat	2.670		Crippen Calculated Property
McVol	199.240	ml/mol	McGowan Calculated Property
Pc	2071.76	kPa	Joback Calculated Property
Inp	[1993.70; 1993.70]
Inp	1993.70		NIST
Inp	1993.70		NIST
Tboil	681.65	K	Joback Calculated Property
Tc	887.45	K	Joback Calculated Property
Tfus	410.54	K	Joback Calculated Property
Vc	0.751	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[525.23; 601.76]	J/mol×K	[681.65; 887.45]
Cp,gas	525.23	J/mol×K	681.65	Joback Calculated Property
Cp,gas	540.08	J/mol×K	715.95	Joback Calculated Property
Cp,gas	554.09	J/mol×K	750.25	Joback Calculated Property
Cp,gas	567.26	J/mol×K	784.55	Joback Calculated Property
Cp,gas	579.59	J/mol×K	818.85	Joback Calculated Property
Cp,gas	591.10	J/mol×K	853.15	Joback Calculated Property
Cp,gas	601.76	J/mol×K	887.45	Joback Calculated Property
η	[0.0000791; 0.0006339]	Pa×s	[410.54; 681.65]
η	0.0006339	Pa×s	410.54	Joback Calculated Property
η	0.0003773	Pa×s	455.73	Joback Calculated Property
η	0.0002466	Pa×s	500.91	Joback Calculated Property
η	0.0001730	Pa×s	546.10	Joback Calculated Property
η	0.0001280	Pa×s	591.28	Joback Calculated Property
η	0.0000989	Pa×s	636.47	Joback Calculated Property
η	0.0000791	Pa×s	681.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-4-(3,4-Dimethoxyphenyl)but-3-en-1-yl acetate.

Sources

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

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