Chemical Properties of Terephthalic acid, heptyl 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C18H21F5O4/c1-2-3-4-5-6-11-26-15(24)13-7-9-14(10-8-13)16(25)27-12-17(19,20)18(21,22)23/h7-10H,2-6,11-12H2,1H3

InChI Key

SHHLMRNRBRZARP-UHFFFAOYSA-N

Formula

C18H21F5O4

SMILES

CCCCCCCOC(=O)c1ccc(C(=O)OCC(F)(F)C(F)(F)F)cc1

Molecular Weight¹

396.35

• 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°	-1232.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1677.44	kJ/mol	Joback Calculated Property
ΔfusH°	42.17	kJ/mol	Joback Calculated Property
ΔvapH°	70.23	kJ/mol	Joback Calculated Property
log10WS	-6.28		Crippen Calculated Property
logPoct/wat	5.168		Crippen Calculated Property
McVol	264.450	ml/mol	McGowan Calculated Property
Pc	1346.69	kPa	Joback Calculated Property
Inp	[2088.00; 2088.00]
Inp	2088.00		NIST
Inp	2088.00		NIST
Tboil	785.37	K	Joback Calculated Property
Tc	972.53	K	Joback Calculated Property
Tfus	483.67	K	Joback Calculated Property
Vc	1.052	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[802.42; 871.90]	J/mol×K	[785.37; 972.53]
Cp,gas	802.42	J/mol×K	785.37	Joback Calculated Property
Cp,gas	816.18	J/mol×K	816.56	Joback Calculated Property
Cp,gas	829.01	J/mol×K	847.76	Joback Calculated Property
Cp,gas	840.95	J/mol×K	878.95	Joback Calculated Property
Cp,gas	852.05	J/mol×K	910.14	Joback Calculated Property
Cp,gas	862.35	J/mol×K	941.34	Joback Calculated Property
Cp,gas	871.90	J/mol×K	972.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, heptyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

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

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