Chemical Properties of l-Valine, n-heptafluorobutyryl-, pentadecyl ester

InChI

InChI=1S/C24H40F7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-35-20(33)19(18(2)3)32-21(34)22(25,26)23(27,28)24(29,30)31/h18-19H,4-17H2,1-3H3,(H,32,34)

InChI Key

CDUBMNUSBILHGR-UHFFFAOYSA-N

Formula

C24H40F7NO3

SMILES

CCCCCCCCCCCCCCCOC(=O)C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C)C

Molecular Weight¹

523.57

• 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	1.0915		Relay (1.0) Calculated Property
ΔfG°	-1482.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-2397.83	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	59.67	kJ/mol	Joback Calculated Property
ΔvapH°	112.82	kJ/mol	Relay (1.0) Calculated Property
IE	9.65	eV	Relay (1.0) Calculated Property
log10WS	-8.05		Relay (1.0) Calculated Property
logPoct/wat	7.594		Crippen Calculated Property
McVol	380.400	ml/mol	McGowan Calculated Property
Pc	753.91	kPa	Joback Calculated Property
Inp	[2351.00; 2351.00]
Inp	2351.00		NIST
Inp	2351.00		NIST
Tboil	605.41	K	Relay (1.0) Calculated Property
Tc	748.78	K	Relay (1.0) Calculated Property
Tfus	340.24	K	Relay (1.0) Calculated Property
Vc	1.407	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1301.35; 1399.87]	J/mol×K	[913.17; 1126.22]
Cp,gas	1301.35	J/mol×K	913.17	Joback Calculated Property
Cp,gas	1320.46	J/mol×K	948.68	Joback Calculated Property
Cp,gas	1338.32	J/mol×K	984.19	Joback Calculated Property
Cp,gas	1355.07	J/mol×K	1019.69	Joback Calculated Property
Cp,gas	1370.83	J/mol×K	1055.20	Joback Calculated Property
Cp,gas	1385.72	J/mol×K	1090.71	Joback Calculated Property
Cp,gas	1399.87	J/mol×K	1126.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Valine, n-heptafluorobutyryl-, pentadecyl ester.

Sources

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

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