Chemical Properties of Sarcosine, n-pentafluorobenzoyl-, octyl ester

InChI

InChI=1S/C18H22F5NO3/c1-3-4-5-6-7-8-9-27-11(25)10-24(2)18(26)12-13(19)15(21)17(23)16(22)14(12)20/h3-10H2,1-2H3

InChI Key

RNHUKAGPDAEJGV-UHFFFAOYSA-N

Formula

C18H22F5NO3

SMILES

CCCCCCCCOC(=O)CN(C)C(=O)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

395.36

• 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).
• 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
ΔfG°	-1061.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-1506.07	kJ/mol	Joback Calculated Property
ΔfusH°	57.28	kJ/mol	Joback Calculated Property
ΔvapH°	75.11	kJ/mol	Joback Calculated Property
log10WS	-5.90		Crippen Calculated Property
logPoct/wat	4.358		Crippen Calculated Property
McVol	268.560	ml/mol	McGowan Calculated Property
Pc	1268.25	kPa	Joback Calculated Property
Inp	[2164.00; 2164.00]
Inp	2164.00		NIST
Inp	2164.00		NIST
Tboil	801.77	K	Joback Calculated Property
Tc	984.86	K	Joback Calculated Property
Tfus	539.15	K	Joback Calculated Property
Vc	1.073	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[808.80; 879.59]	J/mol×K	[801.77; 984.86]
Cp,gas	808.80	J/mol×K	801.77	Joback Calculated Property
Cp,gas	822.67	J/mol×K	832.29	Joback Calculated Property
Cp,gas	835.69	J/mol×K	862.80	Joback Calculated Property
Cp,gas	847.87	J/mol×K	893.32	Joback Calculated Property
Cp,gas	859.24	J/mol×K	923.83	Joback Calculated Property
Cp,gas	869.81	J/mol×K	954.35	Joback Calculated Property
Cp,gas	879.59	J/mol×K	984.86	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, n-pentafluorobenzoyl-, octyl ester.

Sources

• 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.