Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl adamant-2-yl ester

InChI

InChI=1S/C17H23F3O4/c1-9(17(18,19)20)23-14(21)2-3-15(22)24-16-12-5-10-4-11(7-12)8-13(16)6-10/h9-13,16H,2-8H2,1H3

InChI Key

LRMRJPJOMJVPLJ-UHFFFAOYSA-N

Formula

C17H23F3O4

SMILES

CC(OC(=O)CCC(=O)OC1C2CC3CC(C2)CC1C3)C(F)(F)F

Molecular Weight¹

348.36

• 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°	-804.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-1314.61	kJ/mol	Joback Calculated Property
ΔfusH°	38.11	kJ/mol	Joback Calculated Property
ΔvapH°	66.91	kJ/mol	Joback Calculated Property
log10WS	-4.27		Crippen Calculated Property
logPoct/wat	3.628		Crippen Calculated Property
McVol	238.000	ml/mol	McGowan Calculated Property
Pc	1578.46	kPa	Joback Calculated Property
Inp	[1990.00; 1990.00]
Inp	1990.00		NIST
Inp	1990.00		NIST
Tboil	750.23	K	Joback Calculated Property
Tc	945.81	K	Joback Calculated Property
Tfus	456.68	K	Joback Calculated Property
Vc	0.933	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[779.70; 869.37]	J/mol×K	[750.23; 945.81]
Cp,gas	779.70	J/mol×K	750.23	Joback Calculated Property
Cp,gas	797.14	J/mol×K	782.83	Joback Calculated Property
Cp,gas	813.48	J/mol×K	815.42	Joback Calculated Property
Cp,gas	828.80	J/mol×K	848.02	Joback Calculated Property
Cp,gas	843.17	J/mol×K	880.62	Joback Calculated Property
Cp,gas	856.67	J/mol×K	913.21	Joback Calculated Property
Cp,gas	869.37	J/mol×K	945.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl adamant-2-yl ester.

Sources

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

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