Chemical Properties of 1-Aminocyclopentanecarboxylic acid, 3-chloropropoxycarbonyl-, dodecyl ester

InChI

InChI=1S/C22H40ClNO4/c1-2-3-4-5-6-7-8-9-10-13-18-27-20(25)22(15-11-12-16-22)24-21(26)28-19-14-17-23/h2-19H2,1H3,(H,24,26)

InChI Key

AUUIOOQJCQLAAX-UHFFFAOYSA-N

Formula

C22H40ClNO4

SMILES

CCCCCCCCCCCCOC(=O)C1(NC(=O)OCCCCl)CCCC1

Molecular Weight¹

418.01

• 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	1.1050		Relay (... Calculated Property
ΔfG°	-224.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-1075.15	kJ/mol	Relay (... Calculated Property
ΔfusH°	55.24	kJ/mol	Joback Calculated Property
ΔvapH°	122.35	kJ/mol	Relay (... Calculated Property
IE	9.37	eV	Relay (... Calculated Property
log10WS	-6.33		Relay (... Calculated Property
logPoct/wat	6.118		Crippen Calculated Property
McVol	347.080	ml/mol	McGowan Calculated Property
Pc	1084.20	kPa	Joback Calculated Property
Inp	[2847.00; 2847.00]
Inp	2847.00		NIST
Inp	2847.00		NIST
Tboil	654.92	K	Relay (... Calculated Property
Tc	893.30	K	Relay (... Calculated Property
Tfus	328.70	K	Relay (... Calculated Property
Vc	1.269	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1180.98; 1300.93]	J/mol×K	[958.46; 1173.57]
Cp,gas	1180.98	J/mol×K	958.46	Joback Calculated Property
Cp,gas	1201.89	J/mol×K	994.31	Joback Calculated Property
Cp,gas	1222.25	J/mol×K	1030.16	Joback Calculated Property
Cp,gas	1242.21	J/mol×K	1066.01	Joback Calculated Property
Cp,gas	1261.88	J/mol×K	1101.87	Joback Calculated Property
Cp,gas	1281.41	J/mol×K	1137.72	Joback Calculated Property
Cp,gas	1300.93	J/mol×K	1173.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Aminocyclopentanecarboxylic acid, 3-chloropropoxycarbonyl-, dodecyl ester.

Sources

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

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