Chemical Properties of Glutaric acid, tridec-2-yn-1-yl 3,7-dimethyloctyl ester

InChI

InChI=1S/C28H50O4/c1-5-6-7-8-9-10-11-12-13-14-15-23-31-27(29)20-17-21-28(30)32-24-22-26(4)19-16-18-25(2)3/h25-26H,5-13,16-24H2,1-4H3

InChI Key

OHCYLBXPJGKFIO-UHFFFAOYSA-N

Formula

C28H50O4

SMILES

CCCCCCCCCCC#CCOC(=O)CCCC(=O)OCCC(C)CCCC(C)C

Molecular Weight¹

450.69

• 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°	-85.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-849.11	kJ/mol	Joback Calculated Property
ΔfusH°	69.93	kJ/mol	Joback Calculated Property
ΔvapH°	97.61	kJ/mol	Joback Calculated Property
log10WS	-8.58		Crippen Calculated Property
logPoct/wat	7.630		Crippen Calculated Property
McVol	411.660	ml/mol	McGowan Calculated Property
Pc	755.57	kPa	Joback Calculated Property
Inp	[3080.00; 3080.00]
Inp	3080.00		NIST
Inp	3080.00		NIST
Tboil	1000.74	K	Joback Calculated Property
Tc	1230.70	K	Joback Calculated Property
Tfus	625.74	K	Joback Calculated Property
Vc	1.601	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1419.28; 1514.38]	J/mol×K	[1000.74; 1230.70]
Cp,gas	1419.28	J/mol×K	1000.74	Joback Calculated Property
Cp,gas	1439.46	J/mol×K	1039.07	Joback Calculated Property
Cp,gas	1457.84	J/mol×K	1077.39	Joback Calculated Property
Cp,gas	1474.46	J/mol×K	1115.72	Joback Calculated Property
Cp,gas	1489.39	J/mol×K	1154.05	Joback Calculated Property
Cp,gas	1502.67	J/mol×K	1192.37	Joback Calculated Property
Cp,gas	1514.38	J/mol×K	1230.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, tridec-2-yn-1-yl 3,7-dimethyloctyl ester.

Sources

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

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