Chemical Properties of Sarcosine, N-(2,6-difluorobenzoyl)-, heptyl ester

InChI

InChI=1S/C17H23F2NO3/c1-3-4-5-6-7-11-23-15(21)12-20(2)17(22)16-13(18)9-8-10-14(16)19/h8-10H,3-7,11-12H2,1-2H3

InChI Key

DLBCEPFXWZARMX-UHFFFAOYSA-N

Formula

C17H23F2NO3

SMILES

CCCCCCCOC(=O)CN(C)C(=O)c1c(F)cccc1F

Molecular Weight¹

327.37

• 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	0.8610		Relay (1.0) Calculated Property
ΔfG°	-456.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-901.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.62	kJ/mol	Joback Calculated Property
ΔvapH°	91.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-4.75		Relay (1.0) Calculated Property
logPoct/wat	3.550		Crippen Calculated Property
McVol	249.160	ml/mol	McGowan Calculated Property
Pc	1559.81	kPa	Joback Calculated Property
Inp	[2310.00; 2310.00]
Inp	2310.00		NIST
Inp	2310.00		NIST
Tboil	608.86	K	Relay (1.0) Calculated Property
Tc	816.39	K	Relay (1.0) Calculated Property
Tfus	315.82	K	Relay (1.0) Calculated Property
Vc	0.930	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[731.54; 807.00]	J/mol×K	[766.14; 955.55]
Cp,gas	731.54	J/mol×K	766.14	Joback Calculated Property
Cp,gas	746.29	J/mol×K	797.71	Joback Calculated Property
Cp,gas	760.13	J/mol×K	829.28	Joback Calculated Property
Cp,gas	773.10	J/mol×K	860.85	Joback Calculated Property
Cp,gas	785.22	J/mol×K	892.42	Joback Calculated Property
Cp,gas	796.51	J/mol×K	923.99	Joback Calculated Property
Cp,gas	807.00	J/mol×K	955.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2,6-difluorobenzoyl)-, heptyl ester.

Sources

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

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