Chemical Properties of Nitrobenzene, 3-heptafluorobutyrylamino-4-heptafluorobutyryloxy-

InChI

InChI=1S/C14H4F14N2O5/c15-9(16,11(19,20)13(23,24)25)7(31)29-5-3-4(30(33)34)1-2-6(5)35-8(32)10(17,18)12(21,22)14(26,27)28/h1-3H,(H,29,31)

InChI Key

NUZGOEGSDOPLEA-UHFFFAOYSA-N

Formula

C14H4F14N2O5

SMILES

O=C(Nc1cc([N+](=O)[O-])ccc1OC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

546.17

• 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°	-2788.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-3231.41	kJ/mol	Joback Calculated Property
ΔfusH°	44.76	kJ/mol	Joback Calculated Property
ΔvapH°	70.07	kJ/mol	Joback Calculated Property
log10WS	-6.89		Crippen Calculated Property
logPoct/wat	5.104		Crippen Calculated Property
McVol	245.550	ml/mol	McGowan Calculated Property
Pc	1431.55	kPa	Joback Calculated Property
Inp	[1525.00; 1525.00]
Inp	1525.00		NIST
Inp	1525.00		NIST
Tboil	858.93	K	Joback Calculated Property
Tc	1055.26	K	Joback Calculated Property
Tfus	640.14	K	Joback Calculated Property
Vc	1.044	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[778.72; 813.12]	J/mol×K	[858.93; 1055.26]
Cp,gas	778.72	J/mol×K	858.93	Joback Calculated Property
Cp,gas	785.49	J/mol×K	891.65	Joback Calculated Property
Cp,gas	791.69	J/mol×K	924.37	Joback Calculated Property
Cp,gas	797.42	J/mol×K	957.09	Joback Calculated Property
Cp,gas	802.82	J/mol×K	989.81	Joback Calculated Property
Cp,gas	808.01	J/mol×K	1022.53	Joback Calculated Property
Cp,gas	813.12	J/mol×K	1055.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Nitrobenzene, 3-heptafluorobutyrylamino-4-heptafluorobutyryloxy-.

Sources

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

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