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

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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.