Chemical Properties of [1,1,1-2H3]-4-Benzyloxy-2-butanone

InChI

InChI=1S/C11H14O2/c1-10(12)7-8-13-9-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3/i1D3

InChI Key

BTOZGSIVAZGXCH-FIBGUPNXSA-N

Formula

C11H11D3O2

SMILES

CC(=O)CCOCc1ccccc1

Molecular Weight¹

181.25

• 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°	-79.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-278.64	kJ/mol	Joback Calculated Property
ΔfusH°	21.07	kJ/mol	Joback Calculated Property
ΔvapH°	51.51	kJ/mol	Joback Calculated Property
log10WS	-2.39		Crippen Calculated Property
logPoct/wat	2.182		Crippen Calculated Property
McVol	149.530	ml/mol	McGowan Calculated Property
Pc	2778.85	kPa	Joback Calculated Property
Inp	[1463.00; 1463.00]
Inp	1463.00		NIST
Inp	1463.00		NIST
Tboil	554.05	K	Joback Calculated Property
Tc	763.32	K	Joback Calculated Property
Tfus	312.31	K	Joback Calculated Property
Vc	0.568	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[346.39; 421.37]	J/mol×K	[554.05; 763.32]
Cp,gas	346.39	J/mol×K	554.05	Joback Calculated Property
Cp,gas	360.84	J/mol×K	588.93	Joback Calculated Property
Cp,gas	374.48	J/mol×K	623.81	Joback Calculated Property
Cp,gas	387.33	J/mol×K	658.68	Joback Calculated Property
Cp,gas	399.42	J/mol×K	693.56	Joback Calculated Property
Cp,gas	410.76	J/mol×K	728.44	Joback Calculated Property
Cp,gas	421.37	J/mol×K	763.32	Joback Calculated Property
η	[0.0002006; 0.0023060]	Pa×s	[312.31; 554.05]
η	0.0023060	Pa×s	312.31	Joback Calculated Property
η	0.0012165	Pa×s	352.60	Joback Calculated Property
η	0.0007317	Pa×s	392.89	Joback Calculated Property
η	0.0004838	Pa×s	433.18	Joback Calculated Property
η	0.0003432	Pa×s	473.47	Joback Calculated Property
η	0.0002569	Pa×s	513.76	Joback Calculated Property
η	0.0002006	Pa×s	554.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to [1,1,1-2H3]-4-Benzyloxy-2-butanone.

Sources

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

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