Chemical Properties of ethyl [4,4,6,6,6-2H5]-5-benzyloxy-3-hydroxy-3-methylpentanoate

InChI

InChI=1S/C15H22O4/c1-3-19-14(16)11-15(2,17)9-10-18-12-13-7-5-4-6-8-13/h4-8,17H,3,9-12H2,1-2H3/i2D3,9D2

InChI Key

JWHXOHDFTSUPNZ-OXSMHHRZSA-N

Formula

C15H22O4

SMILES

[2H]C([2H])([2H])C(O)(CC(=O)OCC)C([2H])([2H])COCc1ccccc1

Molecular Weight¹

271.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	30.88	kJ/mol	Joback Calculated Property
ΔvapH°	101.31	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.298		Crippen Calculated Property
McVol	217.630	ml/mol	McGowan Calculated Property
Inp	[1915.00; 1915.00]
Inp	1915.00		NIST
Inp	1915.00		NIST
Tboil	574.59	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[633.41; 704.01]	J/mol×K	[739.07; 933.65]
Cp,gas	633.41	J/mol×K	739.07	Joback Calculated Property
Cp,gas	647.40	J/mol×K	771.50	Joback Calculated Property
Cp,gas	660.45	J/mol×K	803.93	Joback Calculated Property
Cp,gas	672.61	J/mol×K	836.36	Joback Calculated Property
Cp,gas	683.90	J/mol×K	868.79	Joback Calculated Property
Cp,gas	694.36	J/mol×K	901.22	Joback Calculated Property
Cp,gas	704.01	J/mol×K	933.65	Joback Calculated Property
η	[0.0000165; 0.0015117]	Pa×s	[413.03; 739.07]
η	0.0015117	Pa×s	413.03	Joback Calculated Property
η	0.0004598	Pa×s	467.37	Joback Calculated Property
η	0.0001792	Pa×s	521.71	Joback Calculated Property
η	0.0000834	Pa×s	576.05	Joback Calculated Property
η	0.0000443	Pa×s	630.39	Joback Calculated Property
η	0.0000260	Pa×s	684.73	Joback Calculated Property
η	0.0000165	Pa×s	739.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to ethyl [4,4,6,6,6-2H5]-5-benzyloxy-3-hydroxy-3-methylpentanoate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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