Chemical Properties of Isophthalic acid, monoamide, N-butyl-, pentyl ester

InChI

InChI=1S/C17H25NO3/c1-3-5-7-12-21-17(20)15-10-8-9-14(13-15)16(19)18-11-6-4-2/h8-10,13H,3-7,11-12H2,1-2H3,(H,18,19)

InChI Key

VKDGHDYRZQULJP-UHFFFAOYSA-N

Formula

C17H25NO3

SMILES

CCCCCOC(=O)c1cccc(C(=O)NCCCC)c1

Molecular Weight¹

291.39

• 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°	-78.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-473.06	kJ/mol	Joback Calculated Property
ΔfusH°	42.92	kJ/mol	Joback Calculated Property
ΔvapH°	78.71	kJ/mol	Joback Calculated Property
log10WS	-4.99		Crippen Calculated Property
logPoct/wat	3.563		Crippen Calculated Property
McVol	245.620	ml/mol	McGowan Calculated Property
Pc	1718.88	kPa	Joback Calculated Property
Inp	[2483.00; 2483.00]
Inp	2483.00		NIST
Inp	2483.00		NIST
Tboil	800.35	K	Joback Calculated Property
Tc	1003.35	K	Joback Calculated Property
Tfus	495.04	K	Joback Calculated Property
Vc	0.945	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[733.33; 809.22]	J/mol×K	[800.35; 1003.35]
Cp,gas	733.33	J/mol×K	800.35	Joback Calculated Property
Cp,gas	748.41	J/mol×K	834.18	Joback Calculated Property
Cp,gas	762.47	J/mol×K	868.02	Joback Calculated Property
Cp,gas	775.56	J/mol×K	901.85	Joback Calculated Property
Cp,gas	787.69	J/mol×K	935.68	Joback Calculated Property
Cp,gas	798.90	J/mol×K	969.52	Joback Calculated Property
Cp,gas	809.22	J/mol×K	1003.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, monoamide, N-butyl-, pentyl ester.

Sources

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

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