Chemical Properties of 1-Adamantanecarboxylic acid, 4-nitrophenyl ester

InChI

InChI=1S/C17H19NO4/c19-16(22-15-3-1-14(2-4-15)18(20)21)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2

InChI Key

UMKLOSVMOXTTNX-UHFFFAOYSA-N

Formula

C17H19NO4

SMILES

O=C(Oc1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2

Molecular Weight¹

301.34

• 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°	153.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-217.57	kJ/mol	Joback Calculated Property
ΔfusH°	34.66	kJ/mol	Joback Calculated Property
ΔvapH°	80.57	kJ/mol	Joback Calculated Property
log10WS	-4.92		Crippen Calculated Property
logPoct/wat	3.717		Crippen Calculated Property
McVol	218.910	ml/mol	McGowan Calculated Property
Pc	2381.86	kPa	Joback Calculated Property
Inp	[2513.00; 2513.00]
Inp	2513.00		NIST
Inp	2513.00		NIST
Tboil	868.21	K	Joback Calculated Property
Tc	1131.05	K	Joback Calculated Property
Tfus	606.02	K	Joback Calculated Property
Vc	0.846	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[726.22; 845.73]	J/mol×K	[868.21; 1131.05]
Cp,gas	726.22	J/mol×K	868.21	Joback Calculated Property
Cp,gas	745.27	J/mol×K	912.02	Joback Calculated Property
Cp,gas	764.21	J/mol×K	955.82	Joback Calculated Property
Cp,gas	783.38	J/mol×K	999.63	Joback Calculated Property
Cp,gas	803.12	J/mol×K	1043.44	Joback Calculated Property
Cp,gas	823.79	J/mol×K	1087.25	Joback Calculated Property
Cp,gas	845.73	J/mol×K	1131.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Adamantanecarboxylic acid, 4-nitrophenyl ester.

Sources

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

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