Chemical Properties of 1,3-Propanediol, 2-hydroxymethyl-2-methyl-, triacetate (CAS 13431-59-9)

InChI

InChI=1S/C11H18O6/c1-8(12)15-5-11(4,6-16-9(2)13)7-17-10(3)14/h5-7H2,1-4H3

InChI Key

PXZWZRWNBAERBU-UHFFFAOYSA-N

Formula

C11H18O6

SMILES

CC(=O)OCC(C)(COC(C)=O)COC(C)=O

Molecular Weight¹

246.26

CAS

13431-59-9

• 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	[286.39; 612.62]	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			4.46430e+01
Coefficient B			1.01028e+00
Coefficient C			-4.62600e-04
Coefficient D			2.03000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	286.39	J/mol×K	273.00	Calculated Property
Cp,gas	345.06	J/mol×K	353.78	Calculated Property
Cp,gas	397.97	J/mol×K	434.56	Calculated Property
Cp,gas	445.20	J/mol×K	515.33	Calculated Property
Cp,gas	486.80	J/mol×K	596.11	Calculated Property
Cp,gas	522.83	J/mol×K	676.89	Calculated Property
Cp,gas	553.37	J/mol×K	757.67	Calculated Property
Cp,gas	578.47	J/mol×K	838.44	Calculated Property
Cp,gas	598.20	J/mol×K	919.22	Calculated Property
Cp,gas	612.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032529; 0.0001368]	Pa×s	[343.14; 566.76]	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			-1.37596e+01
Coefficient B			2.75590e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			343.14
Temperature range, max.			566.76
η	0.0032529	Pa×s	343.14	Calculated Property
η	0.0018913	Pa×s	367.99	Calculated Property
η	0.0011777	Pa×s	392.83	Calculated Property
η	0.0007759	Pa×s	417.68	Calculated Property
η	0.0005357	Pa×s	442.53	Calculated Property
η	0.0003847	Pa×s	467.37	Calculated Property
η	0.0002857	Pa×s	492.22	Calculated Property
η	0.0002183	Pa×s	517.06	Calculated Property
η	0.0001710	Pa×s	541.91	Calculated Property
η	0.0001368	Pa×s	566.76	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Propanediol, 2-hydroxymethyl-2-methyl-, triacetate.

Sources

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

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