Chemical Properties of Succinic acid, 1,1,1-trifluoroprop-2-yl non-5-yn-3-yl ester

InChI

InChI=1S/C16H23F3O4/c1-4-6-7-8-9-13(5-2)23-15(21)11-10-14(20)22-12(3)16(17,18)19/h12-13H,4-6,9-11H2,1-3H3

InChI Key

NXANDDZCZMDUSW-UHFFFAOYSA-N

Formula

C16H23F3O4

SMILES

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

Molecular Weight¹

336.35

• 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	0.6961		Relay (1.0) Calculated Property
ΔfG°	-767.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-1372.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.67	kJ/mol	Joback Calculated Property
ΔvapH°	81.25	kJ/mol	Relay (1.0) Calculated Property
IE	9.85	eV	Relay (1.0) Calculated Property
log10WS	-3.70		Relay (1.0) Calculated Property
logPoct/wat	3.776		Crippen Calculated Property
McVol	247.890	ml/mol	McGowan Calculated Property
Pc	1477.02	kPa	Joback Calculated Property
Inp	[1698.00; 1698.00]
Inp	1698.00		NIST
Inp	1698.00		NIST
Tboil	529.92	K	Relay (1.0) Calculated Property
Tc	693.27	K	Relay (1.0) Calculated Property
Tfus	268.69	K	Relay (1.0) Calculated Property
Vc	0.889	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[714.59; 792.71]	J/mol×K	[720.76; 904.23]
Cp,gas	714.59	J/mol×K	720.76	Joback Calculated Property
Cp,gas	729.68	J/mol×K	751.34	Joback Calculated Property
Cp,gas	743.91	J/mol×K	781.92	Joback Calculated Property
Cp,gas	757.30	J/mol×K	812.50	Joback Calculated Property
Cp,gas	769.89	J/mol×K	843.08	Joback Calculated Property
Cp,gas	781.68	J/mol×K	873.66	Joback Calculated Property
Cp,gas	792.71	J/mol×K	904.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1,1,1-trifluoroprop-2-yl non-5-yn-3-yl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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