Chemical Properties of Succinic acid, tridec-2-yn-1-yl 3-fluorophenyl ester

InChI

InChI=1S/C23H31FO4/c1-2-3-4-5-6-7-8-9-10-11-12-18-27-22(25)16-17-23(26)28-21-15-13-14-20(24)19-21/h13-15,19H,2-10,16-18H2,1H3

InChI Key

RJCDXRZSVNLESW-UHFFFAOYSA-N

Formula

C23H31FO4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)Oc1cccc(F)c1

Molecular Weight¹

390.49

• 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).
• 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
ΔfG°	-214.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-706.40	kJ/mol	Joback Calculated Property
ΔfusH°	60.75	kJ/mol	Joback Calculated Property
ΔvapH°	89.38	kJ/mol	Joback Calculated Property
log10WS	-7.05		Crippen Calculated Property
logPoct/wat	5.589		Crippen Calculated Property
McVol	319.220	ml/mol	McGowan Calculated Property
Pc	1186.60	kPa	Joback Calculated Property
Inp	[2729.00; 2729.00]
Inp	2729.00		NIST
Inp	2729.00		NIST
Tboil	918.15	K	Joback Calculated Property
Tc	1128.33	K	Joback Calculated Property
Tfus	638.92	K	Joback Calculated Property
Vc	1.244	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1011.08; 1085.82]	J/mol×K	[918.15; 1128.33]
Cp,gas	1011.08	J/mol×K	918.15	Joback Calculated Property
Cp,gas	1026.58	J/mol×K	953.18	Joback Calculated Property
Cp,gas	1040.83	J/mol×K	988.21	Joback Calculated Property
Cp,gas	1053.84	J/mol×K	1023.24	Joback Calculated Property
Cp,gas	1065.66	J/mol×K	1058.27	Joback Calculated Property
Cp,gas	1076.31	J/mol×K	1093.30	Joback Calculated Property
Cp,gas	1085.82	J/mol×K	1128.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, tridec-2-yn-1-yl 3-fluorophenyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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