Chemical Properties of «beta»-Alanine, n-heptafluorobutyryl-, dodecyl ester

InChI

InChI=1S/C19H30F7NO3/c1-2-3-4-5-6-7-8-9-10-11-14-30-15(28)12-13-27-16(29)17(20,21)18(22,23)19(24,25)26/h2-14H2,1H3,(H,27,29)

InChI Key

GMOYZXQSNFWOMT-UHFFFAOYSA-N

Formula

C19H30F7NO3

SMILES

CCCCCCCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

453.44

• 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	1.0047		Relay (... Calculated Property
ΔfG°	-1519.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-2296.57	kJ/mol	Relay (... Calculated Property
ΔfusH°	53.77	kJ/mol	Joback Calculated Property
ΔvapH°	99.97	kJ/mol	Relay (... Calculated Property
IE	10.00	eV	Relay (... Calculated Property
log10WS	-6.69		Relay (... Calculated Property
logPoct/wat	5.790		Crippen Calculated Property
McVol	309.950	ml/mol	McGowan Calculated Property
Pc	990.13	kPa	Joback Calculated Property
Inp	[2087.00; 2087.00]
Inp	2087.00		NIST
Inp	2087.00		NIST
Tboil	589.62	K	Relay (... Calculated Property
Tc	717.27	K	Relay (... Calculated Property
Tfus	304.89	K	Relay (... Calculated Property
Vc	1.158	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[997.18; 1079.02]	J/mol×K	[799.65; 979.00]
Cp,gas	997.18	J/mol×K	799.65	Joback Calculated Property
Cp,gas	1012.95	J/mol×K	829.54	Joback Calculated Property
Cp,gas	1027.79	J/mol×K	859.43	Joback Calculated Property
Cp,gas	1041.74	J/mol×K	889.33	Joback Calculated Property
Cp,gas	1054.89	J/mol×K	919.22	Joback Calculated Property
Cp,gas	1067.30	J/mol×K	949.11	Joback Calculated Property
Cp,gas	1079.02	J/mol×K	979.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, n-heptafluorobutyryl-, dodecyl ester.

Sources

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

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