Chemical Properties of 3-Methylbut-2-enoic acid, 4-benzyloxyphenyl ester

InChI

InChI=1S/C18H18O3/c1-14(2)12-18(19)21-17-10-8-16(9-11-17)20-13-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3

InChI Key

GGRWKPRIFNOMKV-UHFFFAOYSA-N

Formula

C18H18O3

SMILES

CC(C)=CC(=O)Oc1ccc(OCc2ccccc2)cc1

Molecular Weight¹

282.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	48.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-222.85	kJ/mol	Joback Calculated Property
ΔfusH°	32.94	kJ/mol	Joback Calculated Property
ΔvapH°	72.48	kJ/mol	Joback Calculated Property
log10WS	-5.12		Crippen Calculated Property
logPoct/wat	4.137		Crippen Calculated Property
McVol	225.970	ml/mol	McGowan Calculated Property
Pc	2041.91	kPa	Joback Calculated Property
Inp	[2313.00; 2313.00]
Inp	2313.00		NIST
Inp	2313.00		NIST
Tboil	772.33	K	Joback Calculated Property
Tc	1006.56	K	Joback Calculated Property
Tfus	433.33	K	Joback Calculated Property
Vc	0.851	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[628.09; 704.66]	J/mol×K	[772.33; 1006.56]
Cp,gas	628.09	J/mol×K	772.33	Joback Calculated Property
Cp,gas	643.77	J/mol×K	811.37	Joback Calculated Property
Cp,gas	658.20	J/mol×K	850.41	Joback Calculated Property
Cp,gas	671.45	J/mol×K	889.44	Joback Calculated Property
Cp,gas	683.57	J/mol×K	928.48	Joback Calculated Property
Cp,gas	694.62	J/mol×K	967.52	Joback Calculated Property
Cp,gas	704.66	J/mol×K	1006.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methylbut-2-enoic acid, 4-benzyloxyphenyl ester.

Sources

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

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