Chemical Properties of Cyclopropanecarboxylic acid, 4-cyanophenyl ester

InChI

InChI=1S/C11H9NO2/c12-7-8-1-5-10(6-2-8)14-11(13)9-3-4-9/h1-2,5-6,9H,3-4H2

InChI Key

GDMSAIHUURVTDC-UHFFFAOYSA-N

Formula

C11H9NO2

SMILES

N#Cc1ccc(OC(=O)C2CC2)cc1

Molecular Weight¹

187.19

• 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°	104.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-52.43	kJ/mol	Joback Calculated Property
ΔfusH°	20.33	kJ/mol	Joback Calculated Property
ΔvapH°	62.56	kJ/mol	Joback Calculated Property
log10WS	-2.63		Crippen Calculated Property
logPoct/wat	1.874		Crippen Calculated Property
McVol	140.050	ml/mol	McGowan Calculated Property
Pc	3062.55	kPa	Joback Calculated Property
Inp	[1571.00; 1571.00]
Inp	1571.00		NIST
Inp	1571.00		NIST
Tboil	667.85	K	Joback Calculated Property
Tc	907.57	K	Joback Calculated Property
Tfus	407.76	K	Joback Calculated Property
Vc	0.550	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[354.92; 413.11]	J/mol×K	[667.85; 907.57]
Cp,gas	354.92	J/mol×K	667.85	Joback Calculated Property
Cp,gas	366.67	J/mol×K	707.80	Joback Calculated Property
Cp,gas	377.52	J/mol×K	747.76	Joback Calculated Property
Cp,gas	387.54	J/mol×K	787.71	Joback Calculated Property
Cp,gas	396.77	J/mol×K	827.66	Joback Calculated Property
Cp,gas	405.27	J/mol×K	867.62	Joback Calculated Property
Cp,gas	413.11	J/mol×K	907.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, 4-cyanophenyl ester.

Sources

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

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