Chemical Properties of Glutaric acid, 2-(cyclohexyl)ethyl tridec-2-yn-1-yl ester

InChI

InChI=1S/C26H44O4/c1-2-3-4-5-6-7-8-9-10-11-15-22-29-25(27)19-16-20-26(28)30-23-21-24-17-13-12-14-18-24/h24H,2-10,12-14,16-23H2,1H3

InChI Key

CRHYQLJWNQOKRK-UHFFFAOYSA-N

Formula

C26H44O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)OCCC1CCCCC1

Molecular Weight¹

420.63

• 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°	-72.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-742.95	kJ/mol	Joback Calculated Property
ΔfusH°	63.63	kJ/mol	Joback Calculated Property
ΔvapH°	94.36	kJ/mol	Joback Calculated Property
log10WS	-7.88		Crippen Calculated Property
logPoct/wat	6.748		Crippen Calculated Property
McVol	372.620	ml/mol	McGowan Calculated Property
Pc	942.68	kPa	Joback Calculated Property
Inp	[3041.00; 3041.00]
Inp	3041.00		NIST
Inp	3041.00		NIST
Tboil	975.41	K	Joback Calculated Property
Tc	1194.30	K	Joback Calculated Property
Tfus	640.58	K	Joback Calculated Property
Vc	1.435	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1286.98; 1373.91]	J/mol×K	[975.41; 1194.30]
Cp,gas	1286.98	J/mol×K	975.41	Joback Calculated Property
Cp,gas	1305.55	J/mol×K	1011.89	Joback Calculated Property
Cp,gas	1322.43	J/mol×K	1048.37	Joback Calculated Property
Cp,gas	1337.66	J/mol×K	1084.85	Joback Calculated Property
Cp,gas	1351.28	J/mol×K	1121.33	Joback Calculated Property
Cp,gas	1363.35	J/mol×K	1157.82	Joback Calculated Property
Cp,gas	1373.91	J/mol×K	1194.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 2-(cyclohexyl)ethyl tridec-2-yn-1-yl ester.

Sources

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

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