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_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).
• IE : Ionization energy (eV).
• 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 : 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
ΔfG°	-404.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-990.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.57	kJ/mol	Joback Calculated Property
ΔvapH°	73.53	kJ/mol	Relay (1.0) Calculated Property
IE	9.35	eV	Relay (1.0) Calculated Property
log10WS	-3.00		Relay (1.0) Calculated Property
logPoct/wat	3.046		Crippen Calculated Property
McVol	237.090	ml/mol	McGowan Calculated Property
Pc	1567.23	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	700.07	K	Relay (1.0) Calculated Property
Tfus	258.28	K	Relay (1.0) Calculated Property
Vc	0.870	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[679.64; 770.09]	J/mol×K	[692.98; 880.79]
Cp,gas	679.64	J/mol×K	692.98	Joback Calculated Property
Cp,gas	696.99	J/mol×K	724.28	Joback Calculated Property
Cp,gas	713.41	J/mol×K	755.58	Joback Calculated Property
Cp,gas	728.93	J/mol×K	786.88	Joback Calculated Property
Cp,gas	743.55	J/mol×K	818.18	Joback Calculated Property
Cp,gas	757.27	J/mol×K	849.49	Joback Calculated Property
Cp,gas	770.09	J/mol×K	880.79	Joback Calculated Property
η	[0.0000718; 0.0050302]	Pa×s	[328.13; 692.98]
η	0.0050302	Pa×s	328.13	Joback Calculated Property
η	0.0014241	Pa×s	388.94	Joback Calculated Property
η	0.0005671	Pa×s	449.75	Joback Calculated Property
η	0.0002812	Pa×s	510.56	Joback Calculated Property
η	0.0001619	Pa×s	571.36	Joback Calculated Property
η	0.0001037	Pa×s	632.17	Joback Calculated Property
η	0.0000718	Pa×s	692.98	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

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