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

InChI

InChI=1S/C17H30ClNO4/c1-2-3-4-5-8-13-22-15(20)17(10-6-7-11-17)19-16(21)23-14-9-12-18/h2-14H2,1H3,(H,19,21)

InChI Key

KPJIYUYOZUIECT-UHFFFAOYSA-N

Formula

C17H30ClNO4

SMILES

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

Molecular Weight¹

347.88

• 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	0.9261		Relay (... Calculated Property
ΔfG°	-267.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-973.06	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.29	kJ/mol	Joback Calculated Property
ΔvapH°	102.90	kJ/mol	Relay (... Calculated Property
IE	9.28	eV	Relay (... Calculated Property
log10WS	-4.81		Relay (... Calculated Property
logPoct/wat	4.168		Crippen Calculated Property
McVol	276.630	ml/mol	McGowan Calculated Property
Pc	1529.46	kPa	Joback Calculated Property
Inp	[2362.00; 2362.00]
Inp	2362.00		NIST
Inp	2362.00		NIST
Tboil	621.52	K	Relay (... Calculated Property
Tc	855.91	K	Relay (... Calculated Property
Tfus	313.85	K	Relay (... Calculated Property
Vc	0.997	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[870.73; 968.93]	J/mol×K	[844.06; 1047.37]
Cp,gas	870.73	J/mol×K	844.06	Joback Calculated Property
Cp,gas	888.28	J/mol×K	877.94	Joback Calculated Property
Cp,gas	905.23	J/mol×K	911.83	Joback Calculated Property
Cp,gas	921.67	J/mol×K	945.71	Joback Calculated Property
Cp,gas	937.70	J/mol×K	979.60	Joback Calculated Property
Cp,gas	953.42	J/mol×K	1013.48	Joback Calculated Property
Cp,gas	968.93	J/mol×K	1047.37	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• 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.