Chemical Properties of Succinic acid, 2-fluorophenyl 2,4,4-trimethylpentyl ester

InChI

InChI=1S/C18H25FO4/c1-13(11-18(2,3)4)12-22-16(20)9-10-17(21)23-15-8-6-5-7-14(15)19/h5-8,13H,9-12H2,1-4H3

InChI Key

JSNMPZHITXAJKE-UHFFFAOYSA-N

Formula

C18H25FO4

SMILES

CC(COC(=O)CCC(=O)Oc1ccccc1F)CC(C)(C)C

Molecular Weight¹

324.39

• 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°	-458.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-889.53	kJ/mol	Joback Calculated Property
ΔfusH°	33.74	kJ/mol	Joback Calculated Property
ΔvapH°	74.41	kJ/mol	Joback Calculated Property
log10WS	-4.68		Crippen Calculated Property
logPoct/wat	4.127		Crippen Calculated Property
McVol	257.370	ml/mol	McGowan Calculated Property
Pc	1530.66	kPa	Joback Calculated Property
Inp	[2060.00; 2060.00]
Inp	2060.00		NIST
Inp	2060.00		NIST
Tboil	791.08	K	Joback Calculated Property
Tc	994.20	K	Joback Calculated Property
Tfus	463.89	K	Joback Calculated Property
Vc	0.985	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[770.92; 848.81]	J/mol×K	[791.08; 994.20]
Cp,gas	770.92	J/mol×K	791.08	Joback Calculated Property
Cp,gas	786.50	J/mol×K	824.93	Joback Calculated Property
Cp,gas	800.99	J/mol×K	858.79	Joback Calculated Property
Cp,gas	814.42	J/mol×K	892.64	Joback Calculated Property
Cp,gas	826.85	J/mol×K	926.49	Joback Calculated Property
Cp,gas	838.30	J/mol×K	960.35	Joback Calculated Property
Cp,gas	848.81	J/mol×K	994.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-fluorophenyl 2,4,4-trimethylpentyl ester.

Sources

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

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