Chemical Properties of Diethylmalonic acid, hexadecyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C26H47F3O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32-23(30)25(6-2,7-3)24(31)33-22(4)26(27,28)29/h22H,5-21H2,1-4H3

InChI Key

FDRSWKUWSSPWLO-UHFFFAOYSA-N

Formula

C26H47F3O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(C)C(F)(F)F

Molecular Weight¹

480.64

• 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°	-880.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-1680.68	kJ/mol	Joback Calculated Property
ΔfusH°	59.56	kJ/mol	Joback Calculated Property
ΔvapH°	86.35	kJ/mol	Joback Calculated Property
log10WS	-8.96		Crippen Calculated Property
logPoct/wat	8.311		Crippen Calculated Property
McVol	397.390	ml/mol	McGowan Calculated Property
Pc	726.14	kPa	Joback Calculated Property
Inp	[2502.00; 2502.00]
Inp	2502.00		NIST
Inp	2502.00		NIST
Tboil	937.77	K	Joback Calculated Property
Tc	1154.61	K	Joback Calculated Property
Tfus	518.71	K	Joback Calculated Property
Vc	1.565	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1365.79; 1469.52]	J/mol×K	[937.77; 1154.61]
Cp,gas	1365.79	J/mol×K	937.77	Joback Calculated Property
Cp,gas	1386.43	J/mol×K	973.91	Joback Calculated Property
Cp,gas	1405.61	J/mol×K	1010.05	Joback Calculated Property
Cp,gas	1423.41	J/mol×K	1046.19	Joback Calculated Property
Cp,gas	1439.94	J/mol×K	1082.33	Joback Calculated Property
Cp,gas	1455.28	J/mol×K	1118.47	Joback Calculated Property
Cp,gas	1469.52	J/mol×K	1154.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, hexadecyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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

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