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

InChI

InChI=1S/C14H20F7NO3/c1-2-3-4-5-6-9-25-10(23)7-8-22-11(24)12(15,16)13(17,18)14(19,20)21/h2-9H2,1H3,(H,22,24)

InChI Key

ZBOYVKZCKRZEKQ-UHFFFAOYSA-N

Formula

C14H20F7NO3

SMILES

CCCCCCCOC(=O)CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

383.30

• 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	0.8185		Relay (1.0) Calculated Property
ΔfG°	-1561.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-2200.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.82	kJ/mol	Joback Calculated Property
ΔvapH°	79.16	kJ/mol	Relay (1.0) Calculated Property
IE	10.01	eV	Relay (1.0) Calculated Property
log10WS	-5.05		Relay (1.0) Calculated Property
logPoct/wat	3.839		Crippen Calculated Property
McVol	239.500	ml/mol	McGowan Calculated Property
Pc	1373.78	kPa	Joback Calculated Property
Inp	[1593.00; 1593.00]
Inp	1593.00		NIST
Inp	1593.00		NIST
Tboil	533.70	K	Relay (1.0) Calculated Property
Tc	666.83	K	Relay (1.0) Calculated Property
Tfus	280.69	K	Relay (1.0) Calculated Property
Vc	0.889	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[714.58; 783.53]	J/mol×K	[685.25; 848.74]
Cp,gas	714.58	J/mol×K	685.25	Joback Calculated Property
Cp,gas	727.88	J/mol×K	712.50	Joback Calculated Property
Cp,gas	740.40	J/mol×K	739.75	Joback Calculated Property
Cp,gas	752.18	J/mol×K	766.99	Joback Calculated Property
Cp,gas	763.27	J/mol×K	794.24	Joback Calculated Property
Cp,gas	773.71	J/mol×K	821.49	Joback Calculated Property
Cp,gas	783.53	J/mol×K	848.74	Joback Calculated Property

Similar Compounds

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

Sources

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

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