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

InChI

InChI=1S/C22H38F5NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-31-19(29)18(17(2)3)28-20(30)21(23,24)22(25,26)27/h17-18H,4-16H2,1-3H3,(H,28,30)

InChI Key

YHZIQORKOBTBCB-UHFFFAOYSA-N

Formula

C22H38F5NO3

SMILES

CCCCCCCCCCCCCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)F)C(C)C

Molecular Weight¹

459.53

• 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	1.0166		Relay (1.0) Calculated Property
ΔfG°	-1112.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-1971.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.75	kJ/mol	Joback Calculated Property
ΔvapH°	105.68	kJ/mol	Relay (1.0) Calculated Property
IE	9.59	eV	Relay (1.0) Calculated Property
log10WS	-7.17		Relay (1.0) Calculated Property
logPoct/wat	6.569		Crippen Calculated Property
McVol	348.680	ml/mol	McGowan Calculated Property
Pc	875.84	kPa	Joback Calculated Property
Inp	[2228.00; 2228.00]
Inp	2228.00		NIST
Inp	2228.00		NIST
Tboil	586.03	K	Relay (1.0) Calculated Property
Tc	742.38	K	Relay (1.0) Calculated Property
Tfus	350.74	K	Relay (1.0) Calculated Property
Vc	1.285	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1163.10; 1255.49]	J/mol×K	[872.10; 1068.83]
Cp,gas	1163.10	J/mol×K	872.10	Joback Calculated Property
Cp,gas	1181.10	J/mol×K	904.89	Joback Calculated Property
Cp,gas	1197.96	J/mol×K	937.68	Joback Calculated Property
Cp,gas	1213.75	J/mol×K	970.47	Joback Calculated Property
Cp,gas	1228.55	J/mol×K	1003.26	Joback Calculated Property
Cp,gas	1242.44	J/mol×K	1036.04	Joback Calculated Property
Cp,gas	1255.49	J/mol×K	1068.83	Joback Calculated Property

Similar Compounds

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