Chemical Properties of 2-Methylbenzene-1,4-diamine, tris(pentafluoropropionyl)-, isomer 2

InChI

InChI=1S/C16H7F15N2O3/c1-5-4-6(2-3-7(5)32-8(34)11(17,18)14(23,24)25)33(9(35)12(19,20)15(26,27)28)10(36)13(21,22)16(29,30)31/h2-4H,1H3,(H,32,34)

InChI Key

HRROJGCPNHUQJB-UHFFFAOYSA-N

Formula

C16H7F15N2O3

SMILES

Cc1cc(N(C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F)ccc1NC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

560.21

• 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°	-2914.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-3370.87	kJ/mol	Joback Calculated Property
ΔfusH°	45.09	kJ/mol	Joback Calculated Property
ΔvapH°	63.50	kJ/mol	Joback Calculated Property
log10WS	-6.63		Crippen Calculated Property
logPoct/wat	5.386		Crippen Calculated Property
McVol	263.760	ml/mol	McGowan Calculated Property
Pc	1262.85	kPa	Joback Calculated Property
Inp	[1426.00; 1426.00]
Inp	1426.00		NIST
Inp	1426.00		NIST
Tboil	796.01	K	Joback Calculated Property
Tc	975.90	K	Joback Calculated Property
Tfus	579.83	K	Joback Calculated Property
Vc	1.099	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[829.03; 872.26]	J/mol×K	[796.01; 975.90]
Cp,gas	829.03	J/mol×K	796.01	Joback Calculated Property
Cp,gas	837.72	J/mol×K	825.99	Joback Calculated Property
Cp,gas	845.67	J/mol×K	855.97	Joback Calculated Property
Cp,gas	852.98	J/mol×K	885.96	Joback Calculated Property
Cp,gas	859.78	J/mol×K	915.94	Joback Calculated Property
Cp,gas	866.17	J/mol×K	945.92	Joback Calculated Property
Cp,gas	872.26	J/mol×K	975.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methylbenzene-1,4-diamine, tris(pentafluoropropionyl)-, isomer 2.

Sources

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

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