Chemical Properties of Cyclopropane-1-carboxylic acid, 2-methoxy-2-phenyl, ethyl ester, trans

InChI

InChI=1S/C13H16O3/c1-3-16-12(14)11-9-13(11,15-2)10-7-5-4-6-8-10/h4-8,11H,3,9H2,1-2H3/t11-,13-/m1/s1

InChI Key

SMIKOOKFNIKEGW-DGCLKSJQSA-N

Formula

C13H16O3

SMILES

CCOC(=O)C1CC1(OC)c1ccccc1

Molecular Weight¹

220.26

• 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°	-120.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-384.44	kJ/mol	Joback Calculated Property
ΔfusH°	20.35	kJ/mol	Joback Calculated Property
ΔvapH°	56.83	kJ/mol	Joback Calculated Property
log10WS	-2.14		Crippen Calculated Property
logPoct/wat	2.111		Crippen Calculated Property
McVol	172.720	ml/mol	McGowan Calculated Property
Pc	2592.49	kPa	Joback Calculated Property
Inp	[1538.00; 1538.00]
Inp	1538.00		NIST
Inp	1538.00		NIST
Tboil	624.54	K	Joback Calculated Property
Tc	847.15	K	Joback Calculated Property
Tfus	394.68	K	Joback Calculated Property
Vc	0.651	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[454.54; 540.16]	J/mol×K	[624.54; 847.15]
Cp,gas	454.54	J/mol×K	624.54	Joback Calculated Property
Cp,gas	470.72	J/mol×K	661.64	Joback Calculated Property
Cp,gas	485.96	J/mol×K	698.74	Joback Calculated Property
Cp,gas	500.39	J/mol×K	735.84	Joback Calculated Property
Cp,gas	514.15	J/mol×K	772.95	Joback Calculated Property
Cp,gas	527.37	J/mol×K	810.05	Joback Calculated Property
Cp,gas	540.16	J/mol×K	847.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropane-1-carboxylic acid, 2-methoxy-2-phenyl, ethyl ester, trans.

Sources

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

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