Chemical Properties of Succinic acid, octadecyl 1-(pentafluorophenyl)ethyl ester

InChI

InChI=1S/C30H45F5O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-38-23(36)19-20-24(37)39-22(2)25-26(31)28(33)30(35)29(34)27(25)32/h22H,3-21H2,1-2H3

InChI Key

JXYJJOVUXUSPDP-UHFFFAOYSA-N

Formula

C30H45F5O4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCC(=O)OC(C)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

564.67

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1844.54	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	86.17	kJ/mol	Joback Calculated Property
ΔvapH°	139.03	kJ/mol	Relay (1.0) Calculated Property
log10WS	-9.77		Relay (1.0) Calculated Property
logPoct/wat	9.571		Crippen Calculated Property
McVol	433.530	ml/mol	McGowan Calculated Property
Pc	609.96	kPa	Joback Calculated Property
Inp	[3135.00; 3135.00]
Inp	3135.00		NIST
Inp	3135.00		NIST
Tboil	682.56	K	Relay (1.0) Calculated Property
Tc	860.92	K	Relay (1.0) Calculated Property
Tfus	336.68	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[670.74; 1485.44]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			9.27990e+01
Coefficient B			2.43274e+00
Coefficient C			-1.20020e-03
Coefficient D			1.60100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	670.74	J/mol×K	273.00	Calculated Property
Cp,gas	810.32	J/mol×K	353.78	Calculated Property
Cp,gas	936.45	J/mol×K	434.56	Calculated Property
Cp,gas	1049.65	J/mol×K	515.33	Calculated Property
Cp,gas	1150.41	J/mol×K	596.11	Calculated Property
Cp,gas	1239.24	J/mol×K	676.89	Calculated Property
Cp,gas	1316.65	J/mol×K	757.67	Calculated Property
Cp,gas	1383.15	J/mol×K	838.44	Calculated Property
Cp,gas	1439.25	J/mol×K	919.22	Calculated Property
Cp,gas	1485.44	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, octadecyl 1-(pentafluorophenyl)ethyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.