Chemical Properties of 1,5-Diacetoxypentane (CAS 6963-44-6)

InChI

InChI=1S/C9H16O4/c1-8(10)12-6-4-3-5-7-13-9(2)11/h3-7H2,1-2H3

InChI Key

PIJBVCVBCQOWMM-UHFFFAOYSA-N

Formula

C9H16O4

SMILES

CC(=O)OCCCCCOC(C)=O

Molecular Weight¹

188.22

CAS

6963-44-6

Other Names

• 1,5-Pentanediol diacetate
• Pentamethylene acetate
• pentane-1,5-diyl diacetate

• 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_boilr : Boiling point at reduced pressure (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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[229.08; 499.87]	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			4.55250e+01
Coefficient B			7.49240e-01
Coefficient C			-2.76600e-04
Coefficient D			-1.83000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.08	J/mol×K	273.00	Calculated Property
Cp,gas	275.16	J/mol×K	353.78	Calculated Property
Cp,gas	317.38	J/mol×K	434.56	Calculated Property
Cp,gas	355.67	J/mol×K	515.33	Calculated Property
Cp,gas	389.99	J/mol×K	596.11	Calculated Property
Cp,gas	420.27	J/mol×K	676.89	Calculated Property
Cp,gas	446.46	J/mol×K	757.67	Calculated Property
Cp,gas	468.49	J/mol×K	838.44	Calculated Property
Cp,gas	486.31	J/mol×K	919.22	Calculated Property
Cp,gas	499.86	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049603; 0.0002325]	Pa×s	[275.85; 488.91]	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			-1.23294e+01
Coefficient B			1.93732e+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.			275.85
Temperature range, max.			488.91
η	0.0049603	Pa×s	275.85	Calculated Property
η	0.0028474	Pa×s	299.52	Calculated Property
η	0.0017729	Pa×s	323.20	Calculated Property
η	0.0011777	Pa×s	346.87	Calculated Property
η	0.0008242	Pa×s	370.54	Calculated Property
η	0.0006021	Pa×s	394.22	Calculated Property
η	0.0004558	Pa×s	417.89	Calculated Property
η	0.0003555	Pa×s	441.56	Calculated Property
η	0.0002844	Pa×s	465.24	Calculated Property
η	0.0002325	Pa×s	488.91	Calculated Property

Similar Compounds

Find more compounds similar to 1,5-Diacetoxypentane.

Sources

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

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