Chemical Properties of Succinic acid, tridec-2-yn-1-yl 2,4,5-trichlorophenyl ester

InChI

InChI=1S/C23H29Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-29-22(27)13-14-23(28)30-21-17-19(25)18(24)16-20(21)26/h16-17H,2-10,13-15H2,1H3

InChI Key

XGAHYYQIRWSVGI-UHFFFAOYSA-N

Formula

C23H29Cl3O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)Oc1cc(Cl)c(Cl)cc1Cl

Molecular Weight¹

475.83

• 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	1.0661		Relay (1.0) Calculated Property
ΔfG°	-74.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-706.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.49	kJ/mol	Joback Calculated Property
ΔvapH°	129.32	kJ/mol	Relay (1.0) Calculated Property
IE	8.63	eV	Relay (1.0) Calculated Property
log10WS	-8.31		Relay (1.0) Calculated Property
logPoct/wat	7.410		Crippen Calculated Property
McVol	354.170	ml/mol	McGowan Calculated Property
Pc	1111.85	kPa	Joback Calculated Property
Inp	[3238.00; 3238.00]
Inp	3238.00		NIST
Inp	3238.00		NIST
Tboil	664.80	K	Relay (1.0) Calculated Property
Tc	930.82	K	Relay (1.0) Calculated Property
Tfus	342.22	K	Relay (1.0) Calculated Property
Vc	1.277	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1070.99; 1120.76]	J/mol×K	[1041.13; 1275.45]
Cp,gas	1070.99	J/mol×K	1041.13	Joback Calculated Property
Cp,gas	1082.76	J/mol×K	1080.18	Joback Calculated Property
Cp,gas	1093.10	J/mol×K	1119.24	Joback Calculated Property
Cp,gas	1102.04	J/mol×K	1158.29	Joback Calculated Property
Cp,gas	1109.60	J/mol×K	1197.35	Joback Calculated Property
Cp,gas	1115.83	J/mol×K	1236.40	Joback Calculated Property
Cp,gas	1120.76	J/mol×K	1275.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, tridec-2-yn-1-yl 2,4,5-trichlorophenyl ester.

Sources

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

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