Chemical Properties of Succinic acid, hept-2-yl 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C14H21F5O4/c1-3-4-5-6-10(2)23-12(21)8-7-11(20)22-9-13(15,16)14(17,18)19/h10H,3-9H2,1-2H3

InChI Key

WIDJGMOXZBCZRL-UHFFFAOYSA-N

Formula

C14H21F5O4

SMILES

CCCCCC(C)OC(=O)CCC(=O)OCC(F)(F)C(F)(F)F

Molecular Weight¹

348.31

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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	-1992.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.80	kJ/mol	Joback Calculated Property
ΔvapH°	75.00	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.019		Crippen Calculated Property
McVol	231.850	ml/mol	McGowan Calculated Property
Inp	[1439.00; 1439.00]
Inp	1439.00		NIST
Inp	1439.00		NIST
Tboil	509.28	K	Relay (1.0) Calculated Property
Tc	635.58	K	Relay (1.0) Calculated Property
Tfus	255.65	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[654.31; 730.84]	J/mol×K	[625.81; 785.14]
Cp,gas	654.31	J/mol×K	625.81	Joback Calculated Property
Cp,gas	668.97	J/mol×K	652.37	Joback Calculated Property
Cp,gas	682.83	J/mol×K	678.92	Joback Calculated Property
Cp,gas	695.93	J/mol×K	705.48	Joback Calculated Property
Cp,gas	708.28	J/mol×K	732.03	Joback Calculated Property
Cp,gas	719.91	J/mol×K	758.59	Joback Calculated Property
Cp,gas	730.84	J/mol×K	785.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, hept-2-yl 2,2,3,3,3-pentafluoropropyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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