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

InChI

InChI=1S/C16H17NO6/c1-3-6-13(4-2)22-15(18)9-10-16(19)23-14-8-5-7-12(11-14)17(20)21/h5,7-8,11,13H,4,9-10H2,1-2H3

InChI Key

BDCGPQGBSSSLQB-UHFFFAOYSA-N

Formula

C16H17NO6

SMILES

CC#CC(CC)OC(=O)CCC(=O)Oc1cccc([N+](=O)[O-])c1

Molecular Weight¹

319.31

• 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°	-45.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-381.85	kJ/mol	Joback Calculated Property
ΔfusH°	47.38	kJ/mol	Joback Calculated Property
ΔvapH°	90.81	kJ/mol	Joback Calculated Property
log10WS	-4.55		Crippen Calculated Property
logPoct/wat	2.625		Crippen Calculated Property
McVol	236.240	ml/mol	McGowan Calculated Property
Pc	2131.49	kPa	Joback Calculated Property
Inp	[2474.00; 2474.00]
Inp	2474.00		NIST
Inp	2474.00		NIST
Tboil	910.12	K	Joback Calculated Property
Tc	1151.47	K	Joback Calculated Property
Tfus	688.05	K	Joback Calculated Property
Vc	0.909	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[700.22; 749.68]	J/mol×K	[910.12; 1151.47]
Cp,gas	700.22	J/mol×K	910.12	Joback Calculated Property
Cp,gas	711.61	J/mol×K	950.34	Joback Calculated Property
Cp,gas	721.72	J/mol×K	990.57	Joback Calculated Property
Cp,gas	730.56	J/mol×K	1030.79	Joback Calculated Property
Cp,gas	738.15	J/mol×K	1071.02	Joback Calculated Property
Cp,gas	744.52	J/mol×K	1111.24	Joback Calculated Property
Cp,gas	749.68	J/mol×K	1151.47	Joback Calculated Property

Similar Compounds

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

Sources

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

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