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

InChI

InChI=1S/C17H19NO6/c1-3-6-14(4-2)23-16(19)7-5-8-17(20)24-15-11-9-13(10-12-15)18(21)22/h9-12,14H,4-5,7-8H2,1-2H3

InChI Key

PWZDBBCJLPUDEZ-UHFFFAOYSA-N

Formula

C17H19NO6

SMILES

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

Molecular Weight¹

333.34

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8603		Relay (1.0) Calculated Property
ΔfG°	-36.89	kJ/mol	Joback Calculated Property
ΔfH°gas	-503.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.97	kJ/mol	Joback Calculated Property
ΔvapH°	105.10	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-4.21		Relay (1.0) Calculated Property
logPoct/wat	3.016		Crippen Calculated Property
McVol	250.330	ml/mol	McGowan Calculated Property
Pc	1954.41	kPa	Joback Calculated Property
Inp	[2548.00; 2548.00]
Inp	2548.00		NIST
Inp	2548.00		NIST
Tboil	633.59	K	Relay (1.0) Calculated Property
Tc	885.85	K	Relay (1.0) Calculated Property
Tfus	364.28	K	Relay (1.0) Calculated Property
Vc	0.866	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[756.89; 806.71]	J/mol×K	[933.00; 1171.84]
Cp,gas	756.89	J/mol×K	933.00	Joback Calculated Property
Cp,gas	768.39	J/mol×K	972.81	Joback Calculated Property
Cp,gas	778.58	J/mol×K	1012.61	Joback Calculated Property
Cp,gas	787.48	J/mol×K	1052.42	Joback Calculated Property
Cp,gas	795.12	J/mol×K	1092.23	Joback Calculated Property
Cp,gas	801.52	J/mol×K	1132.03	Joback Calculated Property
Cp,gas	806.71	J/mol×K	1171.84	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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