Chemical Properties of Succinic acid, 2-(adamant-1-yl)ethyl 3-methylbut-2-yl ester

InChI

InChI=1S/C21H34O4/c1-14(2)15(3)25-20(23)5-4-19(22)24-7-6-21-11-16-8-17(12-21)10-18(9-16)13-21/h14-18H,4-13H2,1-3H3

InChI Key

PGOPWQYCCIRYDI-UHFFFAOYSA-N

Formula

C21H34O4

SMILES

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

Molecular Weight¹

350.49

• 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°	-189.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-769.79	kJ/mol	Joback Calculated Property
ΔfusH°	35.75	kJ/mol	Joback Calculated Property
ΔvapH°	78.33	kJ/mol	Joback Calculated Property
log10WS	-4.93		Crippen Calculated Property
logPoct/wat	4.504		Crippen Calculated Property
McVol	289.050	ml/mol	McGowan Calculated Property
Pc	1372.76	kPa	Joback Calculated Property
Inp	[2592.00; 2592.00]
Inp	2592.00		NIST
Inp	2592.00		NIST
Tboil	851.64	K	Joback Calculated Property
Tc	1061.80	K	Joback Calculated Property
Tfus	510.71	K	Joback Calculated Property
Vc	1.107	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[987.42; 1108.93]	J/mol×K	[851.64; 1061.80]
Cp,gas	987.42	J/mol×K	851.64	Joback Calculated Property
Cp,gas	1008.55	J/mol×K	886.67	Joback Calculated Property
Cp,gas	1029.10	J/mol×K	921.69	Joback Calculated Property
Cp,gas	1049.25	J/mol×K	956.72	Joback Calculated Property
Cp,gas	1069.16	J/mol×K	991.75	Joback Calculated Property
Cp,gas	1089.00	J/mol×K	1026.78	Joback Calculated Property
Cp,gas	1108.93	J/mol×K	1061.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-(adamant-1-yl)ethyl 3-methylbut-2-yl ester.

Sources

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

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