Chemical Properties of Diethylmalonic acid, octadecyl pentafluorophenyl ester

InChI

InChI=1S/C31H47F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-39-29(37)31(5-2,6-3)30(38)40-28-26(35)24(33)23(32)25(34)27(28)36/h4-22H2,1-3H3

InChI Key

UQNAVIVIVJUNQY-UHFFFAOYSA-N

Formula

C31H47F5O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

578.69

• 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	1.3374		Relay (1.0) Calculated Property
ΔfG°	-1164.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1796.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	81.70	kJ/mol	Joback Calculated Property
ΔvapH°	138.36	kJ/mol	Relay (1.0) Calculated Property
IE	9.40	eV	Relay (1.0) Calculated Property
log10WS	-10.23		Relay (1.0) Calculated Property
logPoct/wat	9.899		Crippen Calculated Property
McVol	447.620	ml/mol	McGowan Calculated Property
Pc	609.06	kPa	Joback Calculated Property
Inp	[3095.00; 3095.00]
Inp	3095.00		NIST
Inp	3095.00		NIST
Tboil	677.26	K	Relay (1.0) Calculated Property
Tc	872.77	K	Relay (1.0) Calculated Property
Tfus	332.31	K	Relay (1.0) Calculated Property
Vc	1.668	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1589.15; 1671.65]	J/mol×K	[1105.96; 1407.69]
Cp,gas	1589.15	J/mol×K	1105.96	Joback Calculated Property
Cp,gas	1609.29	J/mol×K	1156.25	Joback Calculated Property
Cp,gas	1626.64	J/mol×K	1206.54	Joback Calculated Property
Cp,gas	1641.38	J/mol×K	1256.83	Joback Calculated Property
Cp,gas	1653.68	J/mol×K	1307.12	Joback Calculated Property
Cp,gas	1663.71	J/mol×K	1357.40	Joback Calculated Property
Cp,gas	1671.65	J/mol×K	1407.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, octadecyl pentafluorophenyl ester.

Sources

• Cheméo Relay (1.0)
• 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.