Chemical Properties of Succinic acid, 3,4-dimethylphenyl 2,2,3,3,4,4,4-heptafluorobutyl ester

InChI

InChI=1S/C16H15F7O4/c1-9-3-4-11(7-10(9)2)27-13(25)6-5-12(24)26-8-14(17,18)15(19,20)16(21,22)23/h3-4,7H,5-6,8H2,1-2H3

InChI Key

LFKIPKNJBIEWNR-UHFFFAOYSA-N

Formula

C16H15F7O4

SMILES

Cc1ccc(OC(=O)CCC(=O)OCC(F)(F)C(F)(F)C(F)(F)F)cc1C

Molecular Weight¹

404.28

• 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°	-1646.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-2048.60	kJ/mol	Joback Calculated Property
ΔfusH°	35.35	kJ/mol	Joback Calculated Property
ΔvapH°	63.52	kJ/mol	Joback Calculated Property
log10WS	-5.40		Crippen Calculated Property
logPoct/wat	4.365		Crippen Calculated Property
McVol	239.810	ml/mol	McGowan Calculated Property
Pc	1457.90	kPa	Joback Calculated Property
Inp	[1834.00; 1834.00]
Inp	1834.00		NIST
Inp	1834.00		NIST
Tboil	739.90	K	Joback Calculated Property
Tc	922.86	K	Joback Calculated Property
Tfus	477.25	K	Joback Calculated Property
Vc	0.965	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[708.56; 770.35]	J/mol×K	[739.90; 922.86]
Cp,gas	708.56	J/mol×K	739.90	Joback Calculated Property
Cp,gas	720.85	J/mol×K	770.39	Joback Calculated Property
Cp,gas	732.28	J/mol×K	800.89	Joback Calculated Property
Cp,gas	742.89	J/mol×K	831.38	Joback Calculated Property
Cp,gas	752.75	J/mol×K	861.87	Joback Calculated Property
Cp,gas	761.88	J/mol×K	892.36	Joback Calculated Property
Cp,gas	770.35	J/mol×K	922.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3,4-dimethylphenyl 2,2,3,3,4,4,4-heptafluorobutyl ester.

Sources

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

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