Chemical Properties of N,N-Diphenylcarbamic acid, pentafluorophenyl ester

InChI

InChI=1S/C19H10F5NO2/c20-13-14(21)16(23)18(17(24)15(13)22)27-19(26)25(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

InChI Key

BXCZUQHKRKEAIU-UHFFFAOYSA-N

Formula

C19H10F5NO2

SMILES

O=C(Oc1c(F)c(F)c(F)c(F)c1F)N(c1ccccc1)c1ccccc1

Molecular Weight¹

379.28

• 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°	-699.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-941.07	kJ/mol	Joback Calculated Property
ΔfusH°	46.35	kJ/mol	Joback Calculated Property
ΔvapH°	75.14	kJ/mol	Joback Calculated Property
log10WS	-6.94		Crippen Calculated Property
logPoct/wat	5.719		Crippen Calculated Property
McVol	233.560	ml/mol	McGowan Calculated Property
Pc	1882.17	kPa	Joback Calculated Property
Inp	[2162.00; 2162.00]
Inp	2162.00		NIST
Inp	2162.00		NIST
Tboil	824.14	K	Joback Calculated Property
Tc	1041.16	K	Joback Calculated Property
Tfus	553.33	K	Joback Calculated Property
Vc	0.907	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[662.49; 717.59]	J/mol×K	[824.14; 1041.16]
Cp,gas	662.49	J/mol×K	824.14	Joback Calculated Property
Cp,gas	674.12	J/mol×K	860.31	Joback Calculated Property
Cp,gas	684.71	J/mol×K	896.48	Joback Calculated Property
Cp,gas	694.30	J/mol×K	932.65	Joback Calculated Property
Cp,gas	702.95	J/mol×K	968.82	Joback Calculated Property
Cp,gas	710.70	J/mol×K	1004.99	Joback Calculated Property
Cp,gas	717.59	J/mol×K	1041.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to N,N-Diphenylcarbamic acid, pentafluorophenyl ester.

Sources

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

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