Chemical Properties of Succinic acid, (adamant-1-yl)methyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C18H24F4O4/c19-16(20)18(21,22)10-26-15(24)2-1-14(23)25-9-17-6-11-3-12(7-17)5-13(4-11)8-17/h11-13,16H,1-10H2

InChI Key

PJDDEKSQYYFRBL-UHFFFAOYSA-N

Formula

C18H24F4O4

SMILES

O=C(CCC(=O)OCC(F)(F)C(F)F)OCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

380.37

• 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	0.7585		Relay (1.0) Calculated Property
ΔfG°	-989.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1748.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.41	kJ/mol	Joback Calculated Property
ΔvapH°	97.36	kJ/mol	Relay (1.0) Calculated Property
IE	9.92	eV	Relay (1.0) Calculated Property
log10WS	-5.63		Relay (1.0) Calculated Property
logPoct/wat	3.970		Crippen Calculated Property
McVol	253.860	ml/mol	McGowan Calculated Property
Pc	1502.31	kPa	Joback Calculated Property
Inp	[2182.00; 2182.00]
Inp	2182.00		NIST
Inp	2182.00		NIST
Tboil	634.83	K	Relay (1.0) Calculated Property
Tc	847.40	K	Relay (1.0) Calculated Property
Tfus	439.35	K	Relay (1.0) Calculated Property
Vc	0.966	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[837.37; 934.51]	J/mol×K	[777.29; 971.41]
Cp,gas	837.37	J/mol×K	777.29	Joback Calculated Property
Cp,gas	854.71	J/mol×K	809.64	Joback Calculated Property
Cp,gas	871.40	J/mol×K	842.00	Joback Calculated Property
Cp,gas	887.58	J/mol×K	874.35	Joback Calculated Property
Cp,gas	903.39	J/mol×K	906.70	Joback Calculated Property
Cp,gas	918.99	J/mol×K	939.06	Joback Calculated Property
Cp,gas	934.51	J/mol×K	971.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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