Chemical Properties of Succinic acid, but-3-yn-2-yl 10-chlorodecyl ester

InChI

InChI=1S/C18H29ClO4/c1-3-16(2)23-18(21)13-12-17(20)22-15-11-9-7-5-4-6-8-10-14-19/h1,16H,4-15H2,2H3

InChI Key

KSNSNAHDIPUFPX-UHFFFAOYSA-N

Formula

C18H29ClO4

SMILES

C#CC(C)OC(=O)CCC(=O)OCCCCCCCCCCCl

Molecular Weight¹

344.87

• 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	0.8884		Relay (1.0) Calculated Property
ΔfG°	-158.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-812.47	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	51.60	kJ/mol	Joback Calculated Property
ΔvapH°	102.10	kJ/mol	Relay (1.0) Calculated Property
IE	9.93	eV	Relay (1.0) Calculated Property
log10WS	-5.13		Relay (1.0) Calculated Property
logPoct/wat	4.234		Crippen Calculated Property
McVol	283.000	ml/mol	McGowan Calculated Property
Pc	1336.86	kPa	Joback Calculated Property
Inp	[2389.00; 2389.00]
Inp	2389.00		NIST
Inp	2389.00		NIST
Tboil	609.85	K	Relay (1.0) Calculated Property
Tc	801.87	K	Relay (1.0) Calculated Property
Tfus	319.97	K	Relay (1.0) Calculated Property
Vc	1.030	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[827.21; 907.60]	J/mol×K	[790.93; 980.42]
Cp,gas	827.21	J/mol×K	790.93	Joback Calculated Property
Cp,gas	842.86	J/mol×K	822.51	Joback Calculated Property
Cp,gas	857.57	J/mol×K	854.09	Joback Calculated Property
Cp,gas	871.39	J/mol×K	885.67	Joback Calculated Property
Cp,gas	884.32	J/mol×K	917.26	Joback Calculated Property
Cp,gas	896.38	J/mol×K	948.84	Joback Calculated Property
Cp,gas	907.60	J/mol×K	980.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, but-3-yn-2-yl 10-chlorodecyl ester.

Sources

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

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