Chemical Properties of 2-Butoxyethyl 3,5,5-trimethylhexanoate

InChI

InChI=1S/C15H30O3/c1-6-7-8-17-9-10-18-14(16)11-13(2)12-15(3,4)5/h13H,6-12H2,1-5H3

InChI Key

FKSRCXOXNDMDDE-UHFFFAOYSA-N

Formula

C15H30O3

SMILES

CCCCOCCOC(=O)CC(C)CC(C)(C)C

Molecular Weight¹

258.40

• 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_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	-820.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.23	kJ/mol	Joback Calculated Property
ΔvapH°	72.79	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.809		Crippen Calculated Property
McVol	235.520	ml/mol	McGowan Calculated Property
Pc	1431.55	kPa	Joback Calculated Property
Inp	[1603.00; 1603.00]
Inp	1603.00		NIST
Inp	1603.00		NIST
Tboil	533.44	K	Relay (1.0) Calculated Property
Tc	716.87	K	Relay (1.0) Calculated Property
Tfus	217.96	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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	[645.73; 743.01]	J/mol×K	[619.77; 794.52]
Cp,gas	645.73	J/mol×K	619.77	Joback Calculated Property
Cp,gas	664.07	J/mol×K	648.89	Joback Calculated Property
Cp,gas	681.53	J/mol×K	678.02	Joback Calculated Property
Cp,gas	698.13	J/mol×K	707.14	Joback Calculated Property
Cp,gas	713.90	J/mol×K	736.27	Joback Calculated Property
Cp,gas	728.85	J/mol×K	765.39	Joback Calculated Property
Cp,gas	743.01	J/mol×K	794.52	Joback Calculated Property
η	[0.0000796; 0.0044824]	Pa×s	[310.79; 619.77]
η	0.0044824	Pa×s	310.79	Joback Calculated Property
η	0.0014202	Pa×s	362.29	Joback Calculated Property
η	0.0005990	Pa×s	413.78	Joback Calculated Property
η	0.0003059	Pa×s	465.28	Joback Calculated Property
η	0.0001786	Pa×s	516.78	Joback Calculated Property
η	0.0001149	Pa×s	568.27	Joback Calculated Property
η	0.0000796	Pa×s	619.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Butoxyethyl 3,5,5-trimethylhexanoate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.