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

• 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).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[513.17; 580.66]	J/mol×K	[676.72; 870.40]
Cp,gas	513.17	J/mol×K	676.72	Joback Calculated Property
Cp,gas	526.28	J/mol×K	709.00	Joback Calculated Property
Cp,gas	538.64	J/mol×K	741.28	Joback Calculated Property
Cp,gas	550.26	J/mol×K	773.56	Joback Calculated Property
Cp,gas	561.14	J/mol×K	805.84	Joback Calculated Property
Cp,gas	571.27	J/mol×K	838.12	Joback Calculated Property
Cp,gas	580.66	J/mol×K	870.40	Joback Calculated Property
η	[0.0001125; 0.0010614]	Pa×s	[432.63; 676.72]
η	0.0010614	Pa×s	432.63	Joback Calculated Property
η	0.0006218	Pa×s	473.31	Joback Calculated Property
η	0.0003964	Pa×s	513.99	Joback Calculated Property
η	0.0002700	Pa×s	554.68	Joback Calculated Property
η	0.0001938	Pa×s	595.36	Joback Calculated Property
η	0.0001451	Pa×s	636.04	Joback Calculated Property
η	0.0001125	Pa×s	676.72	Joback Calculated Property

Similar Compounds

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

Sources

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

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