Chemical Properties of Glutaric acid, tridec-2-yn-1-yl cis-4-tert-butylcyclohexyl ester

InChI

InChI=1S/C28H48O4/c1-5-6-7-8-9-10-11-12-13-14-15-23-31-26(29)17-16-18-27(30)32-25-21-19-24(20-22-25)28(2,3)4/h24-25H,5-13,16-23H2,1-4H3

InChI Key

PZUGPHAXGQXGAD-UHFFFAOYSA-N

Formula

C28H48O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)OC1CCC(C(C)(C)C)CC1

Molecular Weight¹

448.68

• 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°	-60.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-813.32	kJ/mol	Joback Calculated Property
ΔfusH°	62.46	kJ/mol	Joback Calculated Property
ΔvapH°	97.21	kJ/mol	Joback Calculated Property
log10WS	-8.59		Crippen Calculated Property
logPoct/wat	7.382		Crippen Calculated Property
McVol	400.800	ml/mol	McGowan Calculated Property
Pc	833.86	kPa	Joback Calculated Property
Inp	[3140.00; 3140.00]
Inp	3140.00		NIST
Inp	3140.00		NIST
Tboil	1013.27	K	Joback Calculated Property
Tc	1240.55	K	Joback Calculated Property
Tfus	661.30	K	Joback Calculated Property
Vc	1.534	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1418.07; 1506.11]	J/mol×K	[1013.27; 1240.55]
Cp,gas	1418.07	J/mol×K	1013.27	Joback Calculated Property
Cp,gas	1437.02	J/mol×K	1051.15	Joback Calculated Property
Cp,gas	1454.17	J/mol×K	1089.03	Joback Calculated Property
Cp,gas	1469.57	J/mol×K	1126.91	Joback Calculated Property
Cp,gas	1483.31	J/mol×K	1164.79	Joback Calculated Property
Cp,gas	1495.47	J/mol×K	1202.67	Joback Calculated Property
Cp,gas	1506.11	J/mol×K	1240.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl cis-4-tert-butylcyclohexyl 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.