Chemical Properties of 2,4-Dimethylpentan-3-yl 2,3,4,5,6-pentafluorobenzoate

InChI

InChI=1S/C14H15F5O2/c1-5(2)13(6(3)4)21-14(20)7-8(15)10(17)12(19)11(18)9(7)16/h5-6,13H,1-4H3

InChI Key

PDADNVLCYCMZTB-UHFFFAOYSA-N

Formula

C14H15F5O2

SMILES

CC(C)C(OC(=O)c1c(F)c(F)c(F)c(F)c1F)C(C)C

Molecular Weight¹

310.26

• 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°	-1084.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-1394.30	kJ/mol	Joback Calculated Property
ΔfusH°	31.73	kJ/mol	Joback Calculated Property
ΔvapH°	56.25	kJ/mol	Joback Calculated Property
log10WS	-5.51		Crippen Calculated Property
logPoct/wat	4.220		Crippen Calculated Property
McVol	200.650	ml/mol	McGowan Calculated Property
Pc	1651.11	kPa	Joback Calculated Property
Inp	[1406.00; 1406.00]
Inp	1406.00		NIST
Inp	1406.00		NIST
Tboil	642.62	K	Joback Calculated Property
Tc	819.55	K	Joback Calculated Property
Tfus	366.67	K	Joback Calculated Property
Vc	0.807	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[533.65; 603.55]	J/mol×K	[642.62; 819.55]
Cp,gas	533.65	J/mol×K	642.62	Joback Calculated Property
Cp,gas	546.84	J/mol×K	672.11	Joback Calculated Property
Cp,gas	559.41	J/mol×K	701.60	Joback Calculated Property
Cp,gas	571.37	J/mol×K	731.08	Joback Calculated Property
Cp,gas	582.71	J/mol×K	760.57	Joback Calculated Property
Cp,gas	593.44	J/mol×K	790.06	Joback Calculated Property
Cp,gas	603.55	J/mol×K	819.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4-Dimethylpentan-3-yl 2,3,4,5,6-pentafluorobenzoate.

Sources

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

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