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

InChI

InChI=1S/C23H38O4/c1-3-4-5-6-17(2)27-22(25)8-7-21(24)26-10-9-23-14-18-11-19(15-23)13-20(12-18)16-23/h17-20H,3-16H2,1-2H3

InChI Key

UUXNBSWYDRYVOU-UHFFFAOYSA-N

Formula

C23H38O4

SMILES

CCCCCC(C)OC(=O)CCC(=O)OCCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

378.55

• 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	0.8738		Relay (1.0) Calculated Property
ΔfG°	-170.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-1078.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.45	kJ/mol	Joback Calculated Property
ΔvapH°	112.20	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-5.81		Relay (1.0) Calculated Property
logPoct/wat	5.428		Crippen Calculated Property
McVol	317.230	ml/mol	McGowan Calculated Property
Pc	1189.88	kPa	Joback Calculated Property
Inp	[2800.00; 2800.00]
Inp	2800.00		NIST
Inp	2800.00		NIST
Tboil	668.27	K	Relay (1.0) Calculated Property
Tc	900.90	K	Relay (1.0) Calculated Property
Tfus	394.65	K	Relay (1.0) Calculated Property
Vc	1.183	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1112.76; 1242.32]	J/mol×K	[897.84; 1107.10]
Cp,gas	1112.76	J/mol×K	897.84	Joback Calculated Property
Cp,gas	1134.89	J/mol×K	932.72	Joback Calculated Property
Cp,gas	1156.57	J/mol×K	967.59	Joback Calculated Property
Cp,gas	1177.99	J/mol×K	1002.47	Joback Calculated Property
Cp,gas	1199.30	J/mol×K	1037.35	Joback Calculated Property
Cp,gas	1220.69	J/mol×K	1072.22	Joback Calculated Property
Cp,gas	1242.32	J/mol×K	1107.10	Joback Calculated Property

Similar Compounds

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

Sources

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

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