Chemical Properties of Acetophenone-«alpha»,«alpha»,«alpha»-d3 (CAS 17537-31-4)

InChI

InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i1D3

InChI Key

KWOLFJPFCHCOCG-FIBGUPNXSA-N

Formula

C8H8O

SMILES

[2H]C([2H])([2H])C(=O)c1ccccc1

Molecular Weight¹

123.17

CAS

17537-31-4

• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[118.86; 302.55]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.09300e+01
Coefficient B			6.56920e-01
Coefficient C			-4.23900e-04
Coefficient D			1.00460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	118.86	J/mol×K	273.00	Calculated Property
Cp,gas	152.87	J/mol×K	353.78	Calculated Property
Cp,gas	182.73	J/mol×K	434.56	Calculated Property
Cp,gas	208.78	J/mol×K	515.33	Calculated Property
Cp,gas	231.32	J/mol×K	596.11	Calculated Property
Cp,gas	250.67	J/mol×K	676.89	Calculated Property
Cp,gas	267.15	J/mol×K	757.67	Calculated Property
Cp,gas	281.08	J/mol×K	838.44	Calculated Property
Cp,gas	292.77	J/mol×K	919.22	Calculated Property
Cp,gas	302.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029867; 0.0002601]	Pa×s	[256.27; 479.56]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.10554e+01
Coefficient B			1.34333e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			256.27
Temperature range, max.			479.56
η	0.0029867	Pa×s	256.27	Calculated Property
η	0.0018804	Pa×s	281.08	Calculated Property
η	0.0012762	Pa×s	305.89	Calculated Property
η	0.0009180	Pa×s	330.70	Calculated Property
η	0.0006914	Pa×s	355.51	Calculated Property
η	0.0005403	Pa×s	380.32	Calculated Property
η	0.0004352	Pa×s	405.13	Calculated Property
η	0.0003594	Pa×s	429.94	Calculated Property
η	0.0003031	Pa×s	454.75	Calculated Property
η	0.0002601	Pa×s	479.56	Calculated Property

Similar Compounds

Find more compounds similar to Acetophenone-«alpha»,«alpha»,«alpha»-d3.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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