Chemical Properties of 2,4,4-Trimethylpentane-1,3-diol diisobutyrate

InChI

InChI=1S/C15H28O4/c1-9(2)13(19-15(17)11(5)6)12(7)8-18-14(16)10(3)4/h9-13H,8H2,1-7H3

InChI Key

SMGFBRCVKRXTLC-UHFFFAOYSA-N

Formula

C15H28O4

SMILES

CC(C)C(=O)OCC(C)C(OC(=O)C(C)C)C(C)C

Molecular Weight¹

272.38

• ω : Acentric Factor.
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I : 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
ω	0.6789		Relay (1.0) Calculated Property
ΔfH°gas	-990.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.73	kJ/mol	Joback Calculated Property
ΔvapH°	74.86	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.046		Crippen Calculated Property
McVol	237.090	ml/mol	McGowan Calculated Property
Pc	1470.23	kPa	Joback Calculated Property
I	[1875.00; 1875.00]
I	1875.00		NIST
I	1875.00		NIST
Tboil	529.58	K	Relay (1.0) Calculated Property
Tc	704.83	K	Relay (1.0) Calculated Property
Tfus	253.20	K	Relay (1.0) Calculated Property
Vc	0.874	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Ionization energy, Log10 of Water solubility in mol/l 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	[665.03; 758.02]	J/mol×K	[657.04; 840.26]
Cp,gas	665.03	J/mol×K	657.04	Joback Calculated Property
Cp,gas	682.90	J/mol×K	687.58	Joback Calculated Property
Cp,gas	699.81	J/mol×K	718.11	Joback Calculated Property
Cp,gas	715.77	J/mol×K	748.65	Joback Calculated Property
Cp,gas	730.78	J/mol×K	779.19	Joback Calculated Property
Cp,gas	744.86	J/mol×K	809.72	Joback Calculated Property
Cp,gas	758.02	J/mol×K	840.26	Joback Calculated Property
η	[0.0000596; 0.0223954]	Pa×s	[268.47; 657.04]
η	0.0223954	Pa×s	268.47	Joback Calculated Property
η	0.0031918	Pa×s	333.23	Joback Calculated Property
η	0.0008576	Pa×s	397.99	Joback Calculated Property
η	0.0003329	Pa×s	462.75	Joback Calculated Property
η	0.0001630	Pa×s	527.52	Joback Calculated Property
η	0.0000933	Pa×s	592.28	Joback Calculated Property
η	0.0000596	Pa×s	657.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,4-Trimethylpentane-1,3-diol diisobutyrate.

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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