Chemical Properties of 2-Heptadecanone-1-ol, acetate (CAS 116296-24-3)

InChI

InChI=1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19(21)17-22-18(2)20/h3-17H2,1-2H3

InChI Key

LSDQENKWCINLBH-UHFFFAOYSA-N

Formula

C19H36O3

SMILES

CCCCCCCCCCCCCCCC(=O)COC(C)=O

Molecular Weight¹

312.49

CAS

116296-24-3

• 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	[425.81; 996.68]	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			1.83850e+01
Coefficient B			1.72604e+00
Coefficient C			-8.96500e-04
Coefficient D			1.48760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	425.81	J/mol×K	273.00	Calculated Property
Cp,gas	523.40	J/mol×K	353.78	Calculated Property
Cp,gas	611.36	J/mol×K	434.56	Calculated Property
Cp,gas	690.15	J/mol×K	515.33	Calculated Property
Cp,gas	760.24	J/mol×K	596.11	Calculated Property
Cp,gas	822.10	J/mol×K	676.89	Calculated Property
Cp,gas	876.21	J/mol×K	757.67	Calculated Property
Cp,gas	923.03	J/mol×K	838.44	Calculated Property
Cp,gas	963.03	J/mol×K	919.22	Calculated Property
Cp,gas	996.68	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018520; 0.0001287]	Pa×s	[396.15; 645.34]	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			-1.31964e+01
Coefficient B			2.73539e+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.			396.15
Temperature range, max.			645.34
η	0.0018520	Pa×s	396.15	Calculated Property
η	0.0011796	Pa×s	423.84	Calculated Property
η	0.0007941	Pa×s	451.53	Calculated Property
η	0.0005596	Pa×s	479.21	Calculated Property
η	0.0004097	Pa×s	506.90	Calculated Property
η	0.0003098	Pa×s	534.59	Calculated Property
η	0.0002408	Pa×s	562.28	Calculated Property
η	0.0001916	Pa×s	589.96	Calculated Property
η	0.0001557	Pa×s	617.65	Calculated Property
η	0.0001287	Pa×s	645.34	Calculated Property

Similar Compounds

Find more compounds similar to 2-Heptadecanone-1-ol, acetate.

Sources

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

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