Chemical Properties of 2,2-Dimethylpropanoic acid, 4-cyanophenyl ester

InChI

InChI=1S/C12H13NO2/c1-12(2,3)11(14)15-10-6-4-9(8-13)5-7-10/h4-7H,1-3H3

InChI Key

KVCYRHCBMVONNS-UHFFFAOYSA-N

Formula

C12H13NO2

SMILES

CC(C)(C)C(=O)Oc1ccc(C#N)cc1

Molecular Weight¹

203.24

• 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°	55.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-154.62	kJ/mol	Joback Calculated Property
ΔfusH°	17.37	kJ/mol	Joback Calculated Property
ΔvapH°	63.58	kJ/mol	Joback Calculated Property
log10WS	-3.15		Crippen Calculated Property
logPoct/wat	2.510		Crippen Calculated Property
McVol	165.000	ml/mol	McGowan Calculated Property
Pc	2465.36	kPa	Joback Calculated Property
Inp	[1495.00; 1495.00]
Inp	1495.00		NIST
Inp	1495.00		NIST
Tboil	680.76	K	Joback Calculated Property
Tc	913.60	K	Joback Calculated Property
Tfus	403.51	K	Joback Calculated Property
Vc	0.638	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[423.63; 486.19]	J/mol×K	[680.76; 913.60]
Cp,gas	423.63	J/mol×K	680.76	Joback Calculated Property
Cp,gas	436.28	J/mol×K	719.57	Joback Calculated Property
Cp,gas	447.97	J/mol×K	758.37	Joback Calculated Property
Cp,gas	458.76	J/mol×K	797.18	Joback Calculated Property
Cp,gas	468.69	J/mol×K	835.98	Joback Calculated Property
Cp,gas	477.82	J/mol×K	874.79	Joback Calculated Property
Cp,gas	486.19	J/mol×K	913.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Dimethylpropanoic acid, 4-cyanophenyl ester.

Sources

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

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