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

InChI

InChI=1S/C19H7F21N2O3/c1-5-4-6(41-8(43)11(20,21)14(26,27)17(32,33)34)2-3-7(5)42(9(44)12(22,23)15(28,29)18(35,36)37)10(45)13(24,25)16(30,31)19(38,39)40/h2-4H,1H3,(H,41,43)

InChI Key

FIFSZKSDWJKWPP-UHFFFAOYSA-N

Formula

C19H7F21N2O3

SMILES

Cc1cc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc1N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

710.24

• 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°	-4049.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-4635.70	kJ/mol	Joback Calculated Property
ΔfusH°	49.10	kJ/mol	Joback Calculated Property
ΔvapH°	61.38	kJ/mol	Joback Calculated Property
log10WS	-8.83		Crippen Calculated Property
logPoct/wat	7.292		Crippen Calculated Property
McVol	316.650	ml/mol	McGowan Calculated Property
Pc	909.98	kPa	Joback Calculated Property
Inp	[1435.00; 1435.00]
Inp	1435.00		NIST
Inp	1435.00		NIST
Tboil	850.58	K	Joback Calculated Property
Tc	1044.93	K	Joback Calculated Property
Tfus	624.44	K	Joback Calculated Property
Vc	1.341	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1041.57; 1089.09]	J/mol×K	[850.58; 1044.93]
Cp,gas	1041.57	J/mol×K	850.58	Joback Calculated Property
Cp,gas	1050.49	J/mol×K	882.97	Joback Calculated Property
Cp,gas	1058.74	J/mol×K	915.36	Joback Calculated Property
Cp,gas	1066.53	J/mol×K	947.75	Joback Calculated Property
Cp,gas	1074.06	J/mol×K	980.15	Joback Calculated Property
Cp,gas	1081.51	J/mol×K	1012.54	Joback Calculated Property
Cp,gas	1089.09	J/mol×K	1044.93	Joback Calculated Property

Similar Compounds

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

Sources

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

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