Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl ester

InChI

InChI=1S/C18H25F3O4/c1-6-7-13(4)15(9-8-12(2)3)25-17(23)11-10-16(22)24-14(5)18(19,20)21/h13-15H,2,6-7,10-11H2,1,3-5H3

InChI Key

SBKKZCMYUZLGFC-UHFFFAOYSA-N

Formula

C18H25F3O4

SMILES

C=C(C)C#CC(OC(=O)CCC(=O)OC(C)C(F)(F)F)C(C)CCC

Molecular Weight¹

362.38

• 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	0.6904		Relay (1.0) Calculated Property
ΔfG°	-673.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1299.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.74	kJ/mol	Joback Calculated Property
ΔvapH°	83.07	kJ/mol	Relay (1.0) Calculated Property
IE	9.24	eV	Relay (1.0) Calculated Property
log10WS	-4.35		Relay (1.0) Calculated Property
logPoct/wat	4.188		Crippen Calculated Property
McVol	271.770	ml/mol	McGowan Calculated Property
Pc	1332.96	kPa	Joback Calculated Property
Inp	[1732.00; 1732.00]
Inp	1732.00		NIST
Inp	1732.00		NIST
Tboil	542.97	K	Relay (1.0) Calculated Property
Tc	705.86	K	Relay (1.0) Calculated Property
Tfus	287.70	K	Relay (1.0) Calculated Property
Vc	0.957	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[801.99; 881.88]	J/mol×K	[762.64; 951.81]
Cp,gas	801.99	J/mol×K	762.64	Joback Calculated Property
Cp,gas	817.58	J/mol×K	794.17	Joback Calculated Property
Cp,gas	832.21	J/mol×K	825.70	Joback Calculated Property
Cp,gas	845.93	J/mol×K	857.22	Joback Calculated Property
Cp,gas	858.76	J/mol×K	888.75	Joback Calculated Property
Cp,gas	870.74	J/mol×K	920.28	Joback Calculated Property
Cp,gas	881.88	J/mol×K	951.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl 2,6-dimethylnon-1-en-3-yn-5-yl 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.