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

InChI

InChI=1S/C18H26Cl2O4/c19-15(20)11-24-17(22)2-1-16(21)23-4-3-18-8-12-5-13(9-18)7-14(6-12)10-18/h12-15H,1-11H2

InChI Key

UQWXAYDLHHYETA-UHFFFAOYSA-N

Formula

C18H26Cl2O4

SMILES

O=C(CCC(=O)OCC(Cl)Cl)OCCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

377.30

• 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	0.7709		Relay (... Calculated Property
ΔfG°	-236.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1003.69	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.90	kJ/mol	Joback Calculated Property
ΔvapH°	108.80	kJ/mol	Relay (... Calculated Property
IE	9.57	eV	Relay (... Calculated Property
log10WS	-5.68		Relay (... Calculated Property
logPoct/wat	4.263		Crippen Calculated Property
McVol	271.260	ml/mol	McGowan Calculated Property
Pc	1609.00	kPa	Joback Calculated Property
Inp	[2770.00; 2770.00]
Inp	2770.00		NIST
Inp	2770.00		NIST
Tboil	665.14	K	Relay (... Calculated Property
Tc	912.56	K	Relay (... Calculated Property
Tfus	433.71	K	Relay (... Calculated Property
Vc	0.980	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[865.27; 973.18]	J/mol×K	[858.30; 1076.71]
Cp,gas	865.27	J/mol×K	858.30	Joback Calculated Property
Cp,gas	883.57	J/mol×K	894.70	Joback Calculated Property
Cp,gas	901.49	J/mol×K	931.10	Joback Calculated Property
Cp,gas	919.23	J/mol×K	967.51	Joback Calculated Property
Cp,gas	936.97	J/mol×K	1003.91	Joback Calculated Property
Cp,gas	954.89	J/mol×K	1040.31	Joback Calculated Property
Cp,gas	973.18	J/mol×K	1076.71	Joback Calculated Property

Similar Compounds

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

Sources

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

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