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

InChI

InChI=1S/C23H40O4/c1-5-6-7-8-9-10-11-12-13-14-15-18-26-22(24)16-17-23(25)27-21(4)19-20(2)3/h20-21H,5-13,16-19H2,1-4H3

InChI Key

XPTVDDSYICVOAX-UHFFFAOYSA-N

Formula

C23H40O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCC(=O)OC(C)CC(C)C

Molecular Weight¹

380.56

• 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°	-127.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-745.91	kJ/mol	Joback Calculated Property
ΔfusH°	56.98	kJ/mol	Joback Calculated Property
ΔvapH°	86.48	kJ/mol	Joback Calculated Property
log10WS	-6.84		Crippen Calculated Property
logPoct/wat	5.822		Crippen Calculated Property
McVol	341.210	ml/mol	McGowan Calculated Property
Pc	1002.71	kPa	Joback Calculated Property
Inp	[2561.00; 2561.00]
Inp	2561.00		NIST
Inp	2561.00		NIST
Tboil	886.34	K	Joback Calculated Property
Tc	1086.67	K	Joback Calculated Property
Tfus	569.39	K	Joback Calculated Property
Vc	1.321	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1103.44; 1195.24]	J/mol×K	[886.34; 1086.67]
Cp,gas	1103.44	J/mol×K	886.34	Joback Calculated Property
Cp,gas	1121.84	J/mol×K	919.73	Joback Calculated Property
Cp,gas	1138.97	J/mol×K	953.12	Joback Calculated Property
Cp,gas	1154.84	J/mol×K	986.50	Joback Calculated Property
Cp,gas	1169.50	J/mol×K	1019.89	Joback Calculated Property
Cp,gas	1182.95	J/mol×K	1053.28	Joback Calculated Property
Cp,gas	1195.24	J/mol×K	1086.67	Joback Calculated Property

Similar Compounds

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

Sources

• 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.