Chemical Properties of Succinic acid, 2-(adamant-1-yl)ethyl 8-chlorooctyl ester

InChI

InChI=1S/C24H39ClO4/c25-10-5-3-1-2-4-6-11-28-22(26)7-8-23(27)29-12-9-24-16-19-13-20(17-24)15-21(14-19)18-24/h19-21H,1-18H2

InChI Key

UBOOLNSNYCMHKP-UHFFFAOYSA-N

Formula

C24H39ClO4

SMILES

O=C(CCC(=O)OCCC12CC3CC(CC(C3)C1)C2)OCCCCCCCCCl

Molecular Weight¹

427.02

• 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°	-171.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-836.89	kJ/mol	Joback Calculated Property
ΔfusH°	54.76	kJ/mol	Joback Calculated Property
ΔvapH°	90.17	kJ/mol	Joback Calculated Property
log10WS	-6.46		Crippen Calculated Property
logPoct/wat	6.039		Crippen Calculated Property
McVol	343.560	ml/mol	McGowan Calculated Property
Pc	1082.06	kPa	Joback Calculated Property
Inp	[3350.00; 3350.00]
Inp	3350.00		NIST
Inp	3350.00		NIST
Tboil	958.59	K	Joback Calculated Property
Tc	1175.33	K	Joback Calculated Property
Tfus	604.44	K	Joback Calculated Property
Vc	1.337	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1209.62; 1348.15]	J/mol×K	[958.59; 1175.33]
Cp,gas	1209.62	J/mol×K	958.59	Joback Calculated Property
Cp,gas	1232.48	J/mol×K	994.71	Joback Calculated Property
Cp,gas	1255.16	J/mol×K	1030.84	Joback Calculated Property
Cp,gas	1277.88	J/mol×K	1066.96	Joback Calculated Property
Cp,gas	1300.81	J/mol×K	1103.08	Joback Calculated Property
Cp,gas	1324.17	J/mol×K	1139.20	Joback Calculated Property
Cp,gas	1348.15	J/mol×K	1175.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-(adamant-1-yl)ethyl 8-chlorooctyl ester.

Sources

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

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