Chemical Properties of Glutaric acid, 3,4-dimethylcyclohexyl tridec-2-yn-1-yl ester

InChI

InChI=1S/C26H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-20-29-25(27)16-15-17-26(28)30-24-19-18-22(2)23(3)21-24/h22-24H,4-12,15-21H2,1-3H3

InChI Key

BQJQDGOHURVYSI-UHFFFAOYSA-N

Formula

C26H44O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC1CCC(C)C(C)C1

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°	-87.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-783.63	kJ/mol	Joback Calculated Property
ΔfusH°	65.77	kJ/mol	Joback Calculated Property
ΔvapH°	93.74	kJ/mol	Joback Calculated Property
log10WS	-7.75		Crippen Calculated Property
logPoct/wat	6.602		Crippen Calculated Property
McVol	372.620	ml/mol	McGowan Calculated Property
Pc	905.61	kPa	Joback Calculated Property
Inp	[3022.00; 3022.00]
Inp	3022.00		NIST
Inp	3022.00		NIST
Tboil	966.07	K	Joback Calculated Property
Tc	1183.04	K	Joback Calculated Property
Tfus	632.10	K	Joback Calculated Property
Vc	1.433	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1295.22; 1381.72]	J/mol×K	[966.07; 1183.04]
Cp,gas	1295.22	J/mol×K	966.07	Joback Calculated Property
Cp,gas	1314.12	J/mol×K	1002.23	Joback Calculated Property
Cp,gas	1331.18	J/mol×K	1038.39	Joback Calculated Property
Cp,gas	1346.45	J/mol×K	1074.55	Joback Calculated Property
Cp,gas	1359.94	J/mol×K	1110.71	Joback Calculated Property
Cp,gas	1371.69	J/mol×K	1146.88	Joback Calculated Property
Cp,gas	1381.72	J/mol×K	1183.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3,4-dimethylcyclohexyl tridec-2-yn-1-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.