Chemical Properties of Succinic acid, 4-fluoro-3-nitrobenzyl 2-methylhex-3-yl ester

InChI

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

InChI Key

FWBXJYAHGWYPKF-UHFFFAOYSA-N

Formula

C18H24FNO6

SMILES

CCCC(OC(=O)CCC(=O)OCc1ccc(F)c([N+](=O)[O-])c1)C(C)C

Molecular Weight¹

369.38

• 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	0.9421		Relay (1.0) Calculated Property
ΔfG°	-438.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-979.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	48.61	kJ/mol	Joback Calculated Property
ΔvapH°	101.66	kJ/mol	Relay (1.0) Calculated Property
IE	9.24	eV	Relay (1.0) Calculated Property
log10WS	-4.80		Relay (1.0) 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	[2500.00; 2500.00]
Inp	2500.00		NIST
Inp	2500.00		NIST
Tboil	631.05	K	Relay (1.0) Calculated Property
Tc	865.56	K	Relay (1.0) Calculated Property
Tfus	298.04	K	Relay (1.0) Calculated Property
Vc	0.977	m3/kmol	Relay (1.0) 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, 4-fluoro-3-nitrobenzyl 2-methylhex-3-yl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.