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

C15H17D5O4

SMILES

CCOC(=O)CC(C)(O)CCOCc1ccccc1

Molecular Weight¹

271.36

• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-285.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-654.40	kJ/mol	Joback Calculated Property
ΔfusH°	29.30	kJ/mol	Joback Calculated Property
ΔvapH°	78.21	kJ/mol	Joback Calculated Property
log10WS	-3.02		Crippen Calculated Property
logPoct/wat	2.297		Crippen Calculated Property
McVol	217.630	ml/mol	McGowan Calculated Property
Pc	2090.75	kPa	Joback Calculated Property
Inp	[1915.00; 1915.00]
Inp	1915.00		NIST
Inp	1915.00		NIST
Tboil	756.94	K	Joback Calculated Property
Tc	953.72	K	Joback Calculated Property
Tfus	442.86	K	Joback Calculated Property
Vc	0.818	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[638.32; 708.42]	J/mol×K	[756.94; 953.72]
Cp,gas	638.32	J/mol×K	756.94	Joback Calculated Property
Cp,gas	652.13	J/mol×K	789.74	Joback Calculated Property
Cp,gas	665.04	J/mol×K	822.53	Joback Calculated Property
Cp,gas	677.09	J/mol×K	855.33	Joback Calculated Property
Cp,gas	688.32	J/mol×K	888.13	Joback Calculated Property
Cp,gas	698.75	J/mol×K	920.92	Joback Calculated Property
Cp,gas	708.42	J/mol×K	953.72	Joback Calculated Property
η	[0.0000173; 0.0008928]	Pa×s	[442.86; 756.94]
η	0.0008928	Pa×s	442.86	Joback Calculated Property
η	0.0003271	Pa×s	495.21	Joback Calculated Property
η	0.0001452	Pa×s	547.55	Joback Calculated Property
η	0.0000743	Pa×s	599.90	Joback Calculated Property
η	0.0000423	Pa×s	652.25	Joback Calculated Property
η	0.0000262	Pa×s	704.59	Joback Calculated Property
η	0.0000173	Pa×s	756.94	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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