Chemical Properties of Glutaric acid, but-3-yn-2-yl 4-nitrophenyl ester

InChI

InChI=1S/C15H15NO6/c1-3-11(2)21-14(17)5-4-6-15(18)22-13-9-7-12(8-10-13)16(19)20/h1,7-11H,4-6H2,2H3

InChI Key

PUNSWYCOQZKNJW-UHFFFAOYSA-N

Formula

C15H15NO6

SMILES

C#CC(C)OC(=O)CCCC(=O)Oc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

305.28

• 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°	-33.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-341.61	kJ/mol	Joback Calculated Property
ΔfusH°	44.64	kJ/mol	Joback Calculated Property
ΔvapH°	86.30	kJ/mol	Joback Calculated Property
log10WS	-4.14		Crippen Calculated Property
logPoct/wat	2.235		Crippen Calculated Property
McVol	222.150	ml/mol	McGowan Calculated Property
Pc	2306.95	kPa	Joback Calculated Property
Inp	[2313.00; 2313.00]
Inp	2313.00		NIST
Inp	2313.00		NIST
Tboil	868.36	K	Joback Calculated Property
Tc	1104.97	K	Joback Calculated Property
Tfus	617.65	K	Joback Calculated Property
Vc	0.854	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[642.80; 693.52]	J/mol×K	[868.36; 1104.97]
Cp,gas	642.80	J/mol×K	868.36	Joback Calculated Property
Cp,gas	653.97	J/mol×K	907.80	Joback Calculated Property
Cp,gas	664.02	J/mol×K	947.23	Joback Calculated Property
Cp,gas	672.97	J/mol×K	986.67	Joback Calculated Property
Cp,gas	680.85	J/mol×K	1026.10	Joback Calculated Property
Cp,gas	687.69	J/mol×K	1065.54	Joback Calculated Property
Cp,gas	693.52	J/mol×K	1104.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, but-3-yn-2-yl 4-nitrophenyl ester.

Sources

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

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