Chemical Properties of Succinic acid, (adamant-1-yl)methyl 2-ethylhexyl ester

InChI

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

InChI Key

VNVMFCUXYZOTRD-UHFFFAOYSA-N

Formula

C23H38O4

SMILES

CCCCC(CC)COC(=O)CCC(=O)OCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

378.55

• 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°	-170.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-805.79	kJ/mol	Joback Calculated Property
ΔfusH°	44.45	kJ/mol	Joback Calculated Property
ΔvapH°	83.17	kJ/mol	Joback Calculated Property
log10WS	-5.65		Crippen Calculated Property
logPoct/wat	5.286		Crippen Calculated Property
McVol	317.230	ml/mol	McGowan Calculated Property
Pc	1189.88	kPa	Joback Calculated Property
Inp	[2766.00; 2766.00]
Inp	2766.00		NIST
Inp	2766.00		NIST
Tboil	897.84	K	Joback Calculated Property
Tc	1107.10	K	Joback Calculated Property
Tfus	548.25	K	Joback Calculated Property
Vc	1.226	m3/kmol	Joback 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, (adamant-1-yl)methyl 2-ethylhexyl ester.

Sources

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

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