Chemical Properties of (E)-4-Methoxy-2-(prop-1-en-1-yl)phenyl 2-methylbutanoate (CAS 58989-20-1)

InChI

InChI=1S/C15H20O3/c1-5-7-12-10-13(17-4)8-9-14(12)18-15(16)11(3)6-2/h5,7-11H,6H2,1-4H3/b7-5+

InChI Key

YARRWVYKHJNVHX-FNORWQNLSA-N

Formula

C15H20O3

SMILES

CC=Cc1cc(OC)ccc1OC(=O)C(C)CC

Molecular Weight¹

248.32

CAS

58989-20-1

• ω : Acentric Factor.
• 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).
• 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).
• 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
ω	0.6667		Relay (1.0) Calculated Property
ΔfG°	-92.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-477.40	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.52	kJ/mol	Joback Calculated Property
ΔvapH°	77.63	kJ/mol	Relay (1.0) Calculated Property
IE	7.79	eV	Relay (1.0) Calculated Property
log10WS	-3.98		Relay (1.0) Calculated Property
logPoct/wat	3.680		Crippen Calculated Property
McVol	207.460	ml/mol	McGowan Calculated Property
Pc	1944.08	kPa	Joback Calculated Property
Inp	[1845.50; 1845.50]
Inp	1845.50		NIST
Inp	1845.50		NIST
Tboil	567.14	K	Relay (1.0) Calculated Property
Tc	785.89	K	Relay (1.0) Calculated Property
Tfus	303.54	K	Relay (1.0) Calculated Property
Vc	0.728	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[551.65; 633.67]	J/mol×K	[681.67; 890.17]
Cp,gas	551.65	J/mol×K	681.67	Joback Calculated Property
Cp,gas	567.57	J/mol×K	716.42	Joback Calculated Property
Cp,gas	582.57	J/mol×K	751.17	Joback Calculated Property
Cp,gas	596.66	J/mol×K	785.92	Joback Calculated Property
Cp,gas	609.86	J/mol×K	820.67	Joback Calculated Property
Cp,gas	622.19	J/mol×K	855.42	Joback Calculated Property
Cp,gas	633.67	J/mol×K	890.17	Joback Calculated Property
η	[0.0000840; 0.0009687]	Pa×s	[384.58; 681.67]
η	0.0009687	Pa×s	384.58	Joback Calculated Property
η	0.0005108	Pa×s	434.09	Joback Calculated Property
η	0.0003070	Pa×s	483.61	Joback Calculated Property
η	0.0002028	Pa×s	533.12	Joback Calculated Property
η	0.0001438	Pa×s	582.64	Joback Calculated Property
η	0.0001076	Pa×s	632.15	Joback Calculated Property
η	0.0000840	Pa×s	681.67	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-4-Methoxy-2-(prop-1-en-1-yl)phenyl 2-methylbutanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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