Chemical Properties of L-Proline, N-(3-trifluoromethylbenzoyl)-, heptadecyl ester

InChI

InChI=1S/C30H46F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-37-29(36)27-21-18-22-34(27)28(35)25-19-17-20-26(24-25)30(31,32)33/h17,19-20,24,27H,2-16,18,21-23H2,1H3

InChI Key

MOEBNQRPHBTROY-UHFFFAOYSA-N

Formula

C30H46F3NO3

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C1CCCN1C(=O)c1cccc(C(F)(F)F)c1

Molecular Weight¹

525.69

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	1.2369		Relay (1.0) Calculated Property
ΔfG°	-528.03	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1417.43	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	138.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-8.11		Relay (1.0) Calculated Property
logPoct/wat	8.725		Crippen Calculated Property
McVol	423.240	ml/mol	McGowan Calculated Property
Pc	110.82	kPa	Relay (1.0-beta) Calculated Property
Inp	[3472.00; 3472.00]
Inp	3472.00		NIST
Inp	3472.00		NIST
Tboil	731.66	K	Relay (1.0) Calculated Property
Tc	944.36	K	Relay (1.0) Calculated Property
Tfus	346.29	K	Relay (1.0) Calculated Property
Vc	1.575	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to L-Proline, N-(3-trifluoromethylbenzoyl)-, heptadecyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen 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.