Chemical Properties of Glycine, 2-cyclohexyl-N-(2-ethylhexyl)oxycarbonyl-, 2-ethylhexyl ester

InChI

InChI=1S/C25H47NO4/c1-5-9-14-20(7-3)18-29-24(27)23(22-16-12-11-13-17-22)26-25(28)30-19-21(8-4)15-10-6-2/h20-23H,5-19H2,1-4H3,(H,26,28)

InChI Key

ROYKJNWZTDAQBR-UHFFFAOYSA-N

Formula

C25H47NO4

SMILES

CCCCC(CC)COC(=O)C(N=C(O)OCC(CC)CCCC)C1CCCCC1

Molecular Weight¹

425.64

• 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	1.1379		Relay (1.0) Calculated Property
ΔfG°	-199.81	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1156.60	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	129.42	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-6.19		Relay (1.0) Calculated Property
logPoct/wat	6.842		Crippen Calculated Property
McVol	377.110	ml/mol	McGowan Calculated Property
Pc	881.57	kPa	Joback Calculated Property
Inp	[2700.00; 2700.00]
Inp	2700.00		NIST
Inp	2700.00		NIST
Tboil	676.63	K	Relay (1.0) Calculated Property
Tc	888.12	K	Relay (1.0) Calculated Property
Tfus	287.75	K	Relay (1.0) Calculated Property
Vc	1.337	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Glycine, 2-cyclohexyl-N-(2-ethylhexyl)oxycarbonyl-, 2-ethylhexyl 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
• Joback Method
• McGowan Method
• NIST Webbook

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