Chemical Properties of l-Valine, n-pentafluoropropionyl-, heptyl ester

InChI

InChI=1S/C15H24F5NO3/c1-4-5-6-7-8-9-24-12(22)11(10(2)3)21-13(23)14(16,17)15(18,19)20/h10-11H,4-9H2,1-3H3,(H,21,23)

InChI Key

KABOTEFABDUYAU-UHFFFAOYSA-N

Formula

C15H24F5NO3

SMILES

CCCCCCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)F)C(C)C

Molecular Weight¹

361.35

• 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	0.7570		Relay (1.0) Calculated Property
ΔfG°	-1171.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-1832.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.62	kJ/mol	Joback Calculated Property
ΔvapH°	76.94	kJ/mol	Relay (1.0) Calculated Property
IE	9.53	eV	Relay (1.0) Calculated Property
log10WS	-5.07		Relay (1.0) Calculated Property
logPoct/wat	3.838		Crippen Calculated Property
McVol	250.050	ml/mol	McGowan Calculated Property
Pc	1364.66	kPa	Joback Calculated Property
Inp	[1572.00; 1572.00]
Inp	1572.00		NIST
Inp	1572.00		NIST
Tboil	514.02	K	Relay (1.0) Calculated Property
Tc	670.53	K	Relay (1.0) Calculated Property
Tfus	325.63	K	Relay (1.0) Calculated Property
Vc	0.908	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[752.17; 827.96]	J/mol×K	[711.94; 883.04]
Cp,gas	752.17	J/mol×K	711.94	Joback Calculated Property
Cp,gas	766.75	J/mol×K	740.46	Joback Calculated Property
Cp,gas	780.50	J/mol×K	768.97	Joback Calculated Property
Cp,gas	793.46	J/mol×K	797.49	Joback Calculated Property
Cp,gas	805.66	J/mol×K	826.01	Joback Calculated Property
Cp,gas	817.15	J/mol×K	854.52	Joback Calculated Property
Cp,gas	827.96	J/mol×K	883.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Valine, n-pentafluoropropionyl-, heptyl ester.

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.