Chemical Properties of Succinic acid, 2-chloro-6-fluorophenyl adamant-2-yl ester

InChI

InChI=1S/C20H22ClFO4/c21-15-2-1-3-16(22)20(15)26-18(24)5-4-17(23)25-19-13-7-11-6-12(9-13)10-14(19)8-11/h1-3,11-14,19H,4-10H2

InChI Key

JBWAFCHEPBJEMM-UHFFFAOYSA-N

Formula

C20H22ClFO4

SMILES

O=C(CCC(=O)OC1C2CC3CC(C2)CC1C3)Oc1c(F)cccc1Cl

Molecular Weight¹

380.84

• 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°	-309.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-772.43	kJ/mol	Joback Calculated Property
ΔfusH°	48.12	kJ/mol	Joback Calculated Property
ΔvapH°	84.89	kJ/mol	Joback Calculated Property
log10WS	-5.52		Crippen Calculated Property
logPoct/wat	4.533		Crippen Calculated Property
McVol	265.210	ml/mol	McGowan Calculated Property
Pc	1628.54	kPa	Joback Calculated Property
Inp	[2861.00; 2861.00]
Inp	2861.00		NIST
Inp	2861.00		NIST
Tboil	898.07	K	Joback Calculated Property
Tc	1124.58	K	Joback Calculated Property
Tfus	583.27	K	Joback Calculated Property
Vc	1.024	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[871.61; 950.28]	J/mol×K	[898.07; 1124.58]
Cp,gas	871.61	J/mol×K	898.07	Joback Calculated Property
Cp,gas	887.23	J/mol×K	935.82	Joback Calculated Property
Cp,gas	901.71	J/mol×K	973.57	Joback Calculated Property
Cp,gas	915.16	J/mol×K	1011.33	Joback Calculated Property
Cp,gas	927.68	J/mol×K	1049.08	Joback Calculated Property
Cp,gas	939.35	J/mol×K	1086.83	Joback Calculated Property
Cp,gas	950.28	J/mol×K	1124.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 2-chloro-6-fluorophenyl adamant-2-yl ester.

Sources

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

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