Chemical Properties of l-Serine, N,O-bis(5-chlorovaleyl), methyl ester

InChI

InChI=1S/C14H23Cl2NO5/c1-21-14(20)11(17-12(18)6-2-4-8-15)10-22-13(19)7-3-5-9-16/h11H,2-10H2,1H3,(H,17,18)

InChI Key

AFGCSGILQIJBKA-UHFFFAOYSA-N

Formula

C14H23Cl2NO5

SMILES

COC(=O)C(COC(=O)CCCCCl)NC(=O)CCCCCl

Molecular Weight¹

356.24

Other Names

• L-Seine, N,O-bis(5-chlorovaleyl), methyl ester

• 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).
• 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
ΔfG°	-466.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-917.76	kJ/mol	Joback Calculated Property
ΔfusH°	49.16	kJ/mol	Joback Calculated Property
ΔvapH°	86.63	kJ/mol	Joback Calculated Property
log10WS	-2.79		Crippen Calculated Property
logPoct/wat	2.006		Crippen Calculated Property
McVol	259.030	ml/mol	McGowan Calculated Property
Pc	1652.46	kPa	Joback Calculated Property
Inp	[2453.00; 2453.00]
Inp	2453.00		NIST
Inp	2453.00		NIST
Tboil	850.76	K	Joback Calculated Property
Tc	1050.60	K	Joback Calculated Property
Tfus	539.29	K	Joback Calculated Property
Vc	1.000	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[752.30; 811.46]	J/mol×K	[850.76; 1050.60]
Cp,gas	752.30	J/mol×K	850.76	Joback Calculated Property
Cp,gas	764.50	J/mol×K	884.07	Joback Calculated Property
Cp,gas	775.75	J/mol×K	917.37	Joback Calculated Property
Cp,gas	786.07	J/mol×K	950.68	Joback Calculated Property
Cp,gas	795.45	J/mol×K	983.99	Joback Calculated Property
Cp,gas	803.91	J/mol×K	1017.29	Joback Calculated Property
Cp,gas	811.46	J/mol×K	1050.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Serine, N,O-bis(5-chlorovaleyl), methyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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