Chemical Properties of 4-n-Nonylphenol, pentafluorobenzoyl ester

InChI

InChI=1S/C22H23F5O2/c1-2-3-4-5-6-7-8-9-14-10-12-15(13-11-14)29-22(28)16-17(23)19(25)21(27)20(26)18(16)24/h10-13H,2-9H2,1H3

InChI Key

JTXQZUCODJCZNY-UHFFFAOYSA-N

Formula

C22H23F5O2

SMILES

CCCCCCCCCc1ccc(OC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1

Molecular Weight¹

414.41

• 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°	-906.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-1318.52	kJ/mol	Joback Calculated Property
ΔfusH°	56.67	kJ/mol	Joback Calculated Property
ΔvapH°	78.16	kJ/mol	Joback Calculated Property
log10WS	-8.95		Crippen Calculated Property
logPoct/wat	6.894		Crippen Calculated Property
McVol	289.610	ml/mol	McGowan Calculated Property
Pc	1159.29	kPa	Joback Calculated Property
Inp	[2383.90; 2391.30]
Inp	2383.90		NIST
Inp	2387.10		NIST
Inp	2391.30		NIST
Tboil	858.64	K	Joback Calculated Property
Tc	1055.82	K	Joback Calculated Property
Tfus	540.77	K	Joback Calculated Property
Vc	1.165	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[886.92; 958.71]	J/mol×K	[858.64; 1055.82]
Cp,gas	886.92	J/mol×K	858.64	Joback Calculated Property
Cp,gas	901.36	J/mol×K	891.50	Joback Calculated Property
Cp,gas	914.78	J/mol×K	924.37	Joback Calculated Property
Cp,gas	927.20	J/mol×K	957.23	Joback Calculated Property
Cp,gas	938.65	J/mol×K	990.10	Joback Calculated Property
Cp,gas	949.14	J/mol×K	1022.96	Joback Calculated Property
Cp,gas	958.71	J/mol×K	1055.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-n-Nonylphenol, pentafluorobenzoyl ester.

Sources

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

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