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

InChI

InChI=1S/C15H25F3O4/c1-5-8-9-10-21-12(19)14(6-2,7-3)13(20)22-11(4)15(16,17)18/h11H,5-10H2,1-4H3

InChI Key

PAZYBNWGBUHWKI-UHFFFAOYSA-N

Formula

C15H25F3O4

SMILES

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

Molecular Weight¹

326.35

• 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°	-973.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-1453.64	kJ/mol	Joback Calculated Property
ΔfusH°	31.07	kJ/mol	Joback Calculated Property
ΔvapH°	61.86	kJ/mol	Joback Calculated Property
log10WS	-4.36		Crippen Calculated Property
logPoct/wat	4.020		Crippen Calculated Property
McVol	242.400	ml/mol	McGowan Calculated Property
Pc	1418.64	kPa	Joback Calculated Property
Inp	[1425.00; 1425.00]
Inp	1425.00		NIST
Inp	1425.00		NIST
Tboil	686.09	K	Joback Calculated Property
Tc	860.62	K	Joback Calculated Property
Tfus	394.74	K	Joback Calculated Property
Vc	0.950	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[706.07; 786.81]	J/mol×K	[686.09; 860.62]
Cp,gas	706.07	J/mol×K	686.09	Joback Calculated Property
Cp,gas	721.54	J/mol×K	715.18	Joback Calculated Property
Cp,gas	736.17	J/mol×K	744.27	Joback Calculated Property
Cp,gas	749.98	J/mol×K	773.35	Joback Calculated Property
Cp,gas	763.01	J/mol×K	802.44	Joback Calculated Property
Cp,gas	775.28	J/mol×K	831.53	Joback Calculated Property
Cp,gas	786.81	J/mol×K	860.62	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.