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

InChI

InChI=1S/C14H20F7NO3/c1-3-4-5-6-7-8-25-10(23)9-22(2)11(24)12(15,16)13(17,18)14(19,20)21/h3-9H2,1-2H3

InChI Key

UTHMOGRSMJPFQD-UHFFFAOYSA-N

Formula

C14H20F7NO3

SMILES

CCCCCCCOC(=O)CN(C)C(=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	0.7820		Relay (1.0) Calculated Property
ΔfG°	-1540.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-2152.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.74	kJ/mol	Joback Calculated Property
ΔvapH°	74.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-4.78		Relay (1.0) Calculated Property
logPoct/wat	3.791		Crippen Calculated Property
McVol	239.500	ml/mol	McGowan Calculated Property
Pc	1358.63	kPa	Joback Calculated Property
Inp	[1580.00; 1580.00]
Inp	1580.00		NIST
Inp	1580.00		NIST
Tboil	519.47	K	Relay (1.0) Calculated Property
Tc	647.39	K	Relay (1.0) Calculated Property
Tfus	248.48	K	Relay (1.0) Calculated Property
Vc	0.901	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[696.69; 769.22]	J/mol×K	[647.52; 805.68]
Cp,gas	696.69	J/mol×K	647.52	Joback Calculated Property
Cp,gas	710.64	J/mol×K	673.88	Joback Calculated Property
Cp,gas	723.79	J/mol×K	700.24	Joback Calculated Property
Cp,gas	736.18	J/mol×K	726.60	Joback Calculated Property
Cp,gas	747.85	J/mol×K	752.96	Joback Calculated Property
Cp,gas	758.85	J/mol×K	779.32	Joback Calculated Property
Cp,gas	769.22	J/mol×K	805.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, n-heptafluorobutyryl-, heptyl 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.