Chemical Properties of L-Pipecolic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester

InChI

InChI=1S/C14H25NO4/c1-5-18-14(17)15-9-7-6-8-12(15)13(16)19-11(4)10(2)3/h10-12H,5-9H2,1-4H3/t11-,12?/m0/s1

InChI Key

VFRHGYSFWMKXKS-PXYINDEMSA-N

Formula

C14H25NO4

SMILES

CCOC(=O)N1CCCCC1C(=O)OC(C)C(C)C

Molecular Weight¹

271.35

• 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	0.6458		Relay (1.0) Calculated Property
ΔfG°	-305.15	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-893.45	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	82.21	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-2.29		Relay (1.0) Calculated Property
logPoct/wat	2.585		Crippen Calculated Property
McVol	222.120	ml/mol	McGowan Calculated Property
Pc	1625.66	kPa	Relay (1.0-beta) Calculated Property
Inp	[1755.10; 1755.10]
Inp	1755.10		NIST
Inp	1755.10		NIST
Tboil	586.65	K	Relay (1.0) Calculated Property
Tc	776.27	K	Relay (1.0) Calculated Property
Tfus	312.38	K	Relay (1.0) Calculated Property
Vc	0.802	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to L-Pipecolic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl 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

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