Chemical Properties of Pentafluoropropionic acid, nonyl ester (CAS 959100-35-7)

InChI

InChI=1S/C12H19F5O2/c1-2-3-4-5-6-7-8-9-19-10(18)11(13,14)12(15,16)17/h2-9H2,1H3

InChI Key

ZZUHMTSDSRPSDK-UHFFFAOYSA-N

Formula

C12H19F5O2

SMILES

CCCCCCCCCOC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

290.27

CAS

959100-35-7

Other Names

• Nonyl pentafluoropropionate

• ω : Acentric Factor.
• 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).
• 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.
• I : 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	0.6675		Relay (1.0) Calculated Property
ΔfH°gas	-1614.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.78	kJ/mol	Joback Calculated Property
ΔvapH°	63.70	kJ/mol	Relay (1.0) Calculated Property
IE	10.60	eV	Relay (1.0) Calculated Property
log10WS	-5.35		Relay (1.0) Calculated Property
logPoct/wat	4.478		Crippen Calculated Property
McVol	196.230	ml/mol	McGowan Calculated Property
Pc	1535.46	kPa	Joback Calculated Property
Inp	[1160.00; 1173.70]
Inp	1160.00		NIST
Inp	1168.00		NIST
Inp	1173.70		NIST
Inp	1160.00		NIST
I	[1215.00; 1215.00]
I	1215.00		NIST
I	1215.00		NIST
Tboil	457.11	K	Relay (1.0) Calculated Property
Tc	582.25	K	Relay (1.0) Calculated Property
Tfus	237.64	K	Relay (1.0) Calculated Property
Vc	0.748	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[314.46; 684.82]	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			-1.10200e+00
Coefficient B			1.39962e+00
Coefficient C			-9.60000e-04
Coefficient D			2.46300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	314.46	J/mol×K	273.00	Calculated Property
Cp,gas	384.81	J/mol×K	353.78	Calculated Property
Cp,gas	446.04	J/mol×K	434.56	Calculated Property
Cp,gas	498.93	J/mol×K	515.33	Calculated Property
Cp,gas	544.27	J/mol×K	596.11	Calculated Property
Cp,gas	582.82	J/mol×K	676.89	Calculated Property
Cp,gas	615.37	J/mol×K	757.67	Calculated Property
Cp,gas	642.71	J/mol×K	838.44	Calculated Property
Cp,gas	665.59	J/mol×K	919.22	Calculated Property
Cp,gas	684.82	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Pentafluoropropionic acid, nonyl 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.
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