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

InChI

InChI=1S/C14H21F3O4/c1-10(14(15,16)17)21-13(19)8-7-12(18)20-9-11-5-3-2-4-6-11/h10-11H,2-9H2,1H3

InChI Key

ZIFFLTWXCWVDSC-UHFFFAOYSA-N

Formula

C14H21F3O4

SMILES

CC(OC(=O)CCC(=O)OCC1CCCCC1)C(F)(F)F

Molecular Weight¹

310.31

• 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	0.6683		Relay (1.0) Calculated Property
ΔfG°	-960.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-1552.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.73	kJ/mol	Joback Calculated Property
ΔvapH°	75.12	kJ/mol	Relay (1.0) Calculated Property
IE	10.15	eV	Relay (1.0) Calculated Property
log10WS	-3.62		Relay (1.0) Calculated Property
logPoct/wat	3.384		Crippen Calculated Property
McVol	217.450	ml/mol	McGowan Calculated Property
Pc	1775.84	kPa	Joback Calculated Property
Inp	[1634.00; 1634.00]
Inp	1634.00		NIST
Inp	1634.00		NIST
Tboil	564.38	K	Relay (1.0) Calculated Property
Tc	721.31	K	Relay (1.0) Calculated Property
Tfus	286.67	K	Relay (1.0) Calculated Property
Vc	0.793	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[642.42; 727.42]	J/mol×K	[685.99; 875.95]
Cp,gas	642.42	J/mol×K	685.99	Joback Calculated Property
Cp,gas	659.08	J/mol×K	717.65	Joback Calculated Property
Cp,gas	674.71	J/mol×K	749.31	Joback Calculated Property
Cp,gas	689.33	J/mol×K	780.97	Joback Calculated Property
Cp,gas	702.98	J/mol×K	812.63	Joback Calculated Property
Cp,gas	715.67	J/mol×K	844.29	Joback Calculated Property
Cp,gas	727.42	J/mol×K	875.95	Joback Calculated Property

Similar Compounds

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

Sources

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

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