Chemical Properties of MPMC, TFA

InChI

InChI=1S/C12H12F3NO3/c1-7-4-5-9(6-8(7)2)19-11(18)16(3)10(17)12(13,14)15/h4-6H,1-3H3

InChI Key

SAIIMSPDMSJCQF-UHFFFAOYSA-N

Formula

C12H12F3NO3

SMILES

Cc1ccc(OC(=O)N(C)C(=O)C(F)(F)F)cc1C

Molecular Weight¹

275.22

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6359		Relay (1.0) Calculated Property
ΔfG°	-690.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-1136.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.33	kJ/mol	Joback Calculated Property
ΔvapH°	79.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.81	eV	Relay (1.0) Calculated Property
log10WS	-3.10		Relay (1.0) Calculated Property
logPoct/wat	2.823		Crippen Calculated Property
McVol	180.480	ml/mol	McGowan Calculated Property
Pc	2315.84	kPa	Joback Calculated Property
Inp	[1519.00; 1526.00]
Inp	1519.00		NIST
Inp	1526.00		NIST
Inp	1526.00		NIST
Tboil	537.20	K	Relay (1.0) Calculated Property
Tc	733.56	K	Relay (1.0) Calculated Property
Tfus	311.47	K	Relay (1.0) Calculated Property
Vc	0.661	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[475.39; 538.34]	J/mol×K	[647.78; 844.48]
Cp,gas	475.39	J/mol×K	647.78	Joback Calculated Property
Cp,gas	487.83	J/mol×K	680.56	Joback Calculated Property
Cp,gas	499.44	J/mol×K	713.35	Joback Calculated Property
Cp,gas	510.27	J/mol×K	746.13	Joback Calculated Property
Cp,gas	520.34	J/mol×K	778.91	Joback Calculated Property
Cp,gas	529.68	J/mol×K	811.70	Joback Calculated Property
Cp,gas	538.34	J/mol×K	844.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to MPMC, TFA.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.