Chemical Properties of Succinic acid, 2-fluoro-5-nitrobenzyl 2-methylhex-3-yl ester

InChI

InChI=1S/C18H24FNO6/c1-4-5-16(12(2)3)26-18(22)9-8-17(21)25-11-13-10-14(20(23)24)6-7-15(13)19/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3

InChI Key

KURQUPZTMZRATD-UHFFFAOYSA-N

Formula

C18H24FNO6

SMILES

CCCC(OC(=O)CCC(=O)OCc1cc([N+](=O)[O-])ccc1F)C(C)C

Molecular Weight¹

369.38

• 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°	-438.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-908.29	kJ/mol	Joback Calculated Property
ΔfusH°	48.61	kJ/mol	Joback Calculated Property
ΔvapH°	92.57	kJ/mol	Joback Calculated Property
log10WS	-5.53		Crippen Calculated Property
logPoct/wat	3.925		Crippen Calculated Property
McVol	274.790	ml/mol	McGowan Calculated Property
Pc	1514.03	kPa	Joback Calculated Property
Inp	[2471.00; 2471.00]
Inp	2471.00		NIST
Inp	2471.00		NIST
Tboil	950.69	K	Joback Calculated Property
Tc	1173.34	K	Joback Calculated Property
Tfus	602.60	K	Joback Calculated Property
Vc	1.071	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[877.12; 930.09]	J/mol×K	[950.69; 1173.34]
Cp,gas	877.12	J/mol×K	950.69	Joback Calculated Property
Cp,gas	889.12	J/mol×K	987.80	Joback Calculated Property
Cp,gas	899.81	J/mol×K	1024.91	Joback Calculated Property
Cp,gas	909.23	J/mol×K	1062.01	Joback Calculated Property
Cp,gas	917.41	J/mol×K	1099.12	Joback Calculated Property
Cp,gas	924.35	J/mol×K	1136.23	Joback Calculated Property
Cp,gas	930.09	J/mol×K	1173.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluoro-5-nitrobenzyl 2-methylhex-3-yl ester.

Sources

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

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