Chemical Properties of Sarcosine, n-heptafluorobutyryl-, pentyl ester

InChI

InChI=1S/C12H16F7NO3/c1-3-4-5-6-23-8(21)7-20(2)9(22)10(13,14)11(15,16)12(17,18)19/h3-7H2,1-2H3

InChI Key

OAZIBCRUEVFOKV-UHFFFAOYSA-N

Formula

C12H16F7NO3

SMILES

CCCCCOC(=O)CN(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

355.25

• 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	0.7067		Relay (1.0) Calculated Property
ΔfG°	-1557.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-2112.99	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.56	kJ/mol	Joback Calculated Property
ΔvapH°	67.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.39	eV	Relay (1.0) Calculated Property
log10WS	-3.97		Relay (1.0) Calculated Property
logPoct/wat	3.011		Crippen Calculated Property
McVol	211.320	ml/mol	McGowan Calculated Property
Pc	1573.45	kPa	Joback Calculated Property
Inp	[1395.00; 1395.00]
Inp	1395.00		NIST
Inp	1395.00		NIST
Tboil	493.86	K	Relay (1.0) Calculated Property
Tc	623.36	K	Relay (1.0) Calculated Property
Tfus	240.81	K	Relay (1.0) Calculated Property
Vc	0.793	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[592.16; 660.04]	J/mol×K	[601.76; 758.26]
Cp,gas	592.16	J/mol×K	601.76	Joback Calculated Property
Cp,gas	605.26	J/mol×K	627.84	Joback Calculated Property
Cp,gas	617.60	J/mol×K	653.93	Joback Calculated Property
Cp,gas	629.21	J/mol×K	680.01	Joback Calculated Property
Cp,gas	640.13	J/mol×K	706.09	Joback Calculated Property
Cp,gas	650.39	J/mol×K	732.17	Joback Calculated Property
Cp,gas	660.04	J/mol×K	758.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, n-heptafluorobutyryl-, pentyl ester.

Sources

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

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