Chemical Properties of Glutaric acid, di(3,7-dimethyloctyl) ester

InChI

InChI=1S/C25H48O4/c1-20(2)10-7-12-22(5)16-18-28-24(26)14-9-15-25(27)29-19-17-23(6)13-8-11-21(3)4/h20-23H,7-19H2,1-6H3

InChI Key

NUXPEKJWRCBJBZ-UHFFFAOYSA-N

Formula

C25H48O4

SMILES

CC(C)CCCC(C)CCOC(=O)CCCC(=O)OCCC(C)CCCC(C)C

Molecular Weight¹

412.65

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1235.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.15	kJ/mol	Joback Calculated Property
ΔvapH°	108.90	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.58		Relay (1.0) Calculated Property
logPoct/wat	6.948		Crippen Calculated Property
McVol	377.990	ml/mol	McGowan Calculated Property
Pc	782.00	kPa	Joback Calculated Property
Inp	[2656.00; 2656.00]
Inp	2656.00		NIST
Inp	2656.00		NIST
Tboil	648.20	K	Relay (1.0) Calculated Property
Tc	810.75	K	Relay (1.0) Calculated Property
Tfus	254.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1263.83; 1364.06]	J/mol×K	[886.28; 1085.18]
Cp,gas	1263.83	J/mol×K	886.28	Joback Calculated Property
Cp,gas	1284.20	J/mol×K	919.43	Joback Calculated Property
Cp,gas	1303.06	J/mol×K	952.58	Joback Calculated Property
Cp,gas	1320.44	J/mol×K	985.73	Joback Calculated Property
Cp,gas	1336.37	J/mol×K	1018.88	Joback Calculated Property
Cp,gas	1350.90	J/mol×K	1052.03	Joback Calculated Property
Cp,gas	1364.06	J/mol×K	1085.18	Joback Calculated Property
η	[0.0000136; 0.0020507]	Pa×s	[396.17; 886.28]
η	0.0020507	Pa×s	396.17	Joback Calculated Property
η	0.0004347	Pa×s	477.86	Joback Calculated Property
η	0.0001449	Pa×s	559.54	Joback Calculated Property
η	0.0000639	Pa×s	641.22	Joback Calculated Property
η	0.0000339	Pa×s	722.91	Joback Calculated Property
η	0.0000205	Pa×s	804.60	Joback Calculated Property
η	0.0000136	Pa×s	886.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, di(3,7-dimethyloctyl) ester.

Sources

• Cheméo Relay (1.0)
• 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.
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