Chemical Properties of Succinic acid, 2,2,3,3-tetrafluoropropyl adamant-2-yl ester

InChI

InChI=1S/C17H22F4O4/c18-16(19)17(20,21)8-24-13(22)1-2-14(23)25-15-11-4-9-3-10(6-11)7-12(15)5-9/h9-12,15-16H,1-8H2

InChI Key

AQYZKYDQOJJBCZ-UHFFFAOYSA-N

Formula

C17H22F4O4

SMILES

O=C(CCC(=O)OC1C2CC3CC(C2)CC1C3)OCC(F)(F)C(F)F

Molecular Weight¹

366.35

• 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°	-999.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-1510.72	kJ/mol	Joback Calculated Property
ΔfusH°	41.19	kJ/mol	Joback Calculated Property
ΔvapH°	66.09	kJ/mol	Joback Calculated Property
log10WS	-4.12		Crippen Calculated Property
logPoct/wat	3.578		Crippen Calculated Property
McVol	239.770	ml/mol	McGowan Calculated Property
Pc	1523.50	kPa	Joback Calculated Property
Inp	[2084.00; 2084.00]
Inp	2084.00		NIST
Inp	2084.00		NIST
Tboil	749.50	K	Joback Calculated Property
Tc	939.41	K	Joback Calculated Property
Tfus	457.27	K	Joback Calculated Property
Vc	0.952	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[787.36; 874.26]	J/mol×K	[749.50; 939.41]
Cp,gas	787.36	J/mol×K	749.50	Joback Calculated Property
Cp,gas	804.22	J/mol×K	781.15	Joback Calculated Property
Cp,gas	820.04	J/mol×K	812.80	Joback Calculated Property
Cp,gas	834.88	J/mol×K	844.45	Joback Calculated Property
Cp,gas	848.82	J/mol×K	876.10	Joback Calculated Property
Cp,gas	861.92	J/mol×K	907.75	Joback Calculated Property
Cp,gas	874.26	J/mol×K	939.41	Joback Calculated Property

Similar Compounds

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

Sources

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

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