Chemical Properties of 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, tris(mercaptoacetae) (CAS 10193-98-3)

1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, tris(mercaptoacetae)

InChI
InChI=1S/C11H18O6S3/c1-11(5-15-8(12)2-18,6-16-9(13)3-19)7-17-10(14)4-20/h18-20H,2-7H2,1H3
InChI Key
OMGUQSBVDSVSQB-UHFFFAOYSA-N
Formula
C11H18O6S3
SMILES
CC(COC(=O)CS)(COC(=O)CS)COC(=O)CS
Molecular Weight1
342.45
CAS
10193-98-3
Other Names
  • 2-[[(mercaptoacetyl)oxy]methyl]-2-methyl-1,3-propanediyl bis(mercaptoacetate)
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Physical Properties

Property Value Unit Source
ΔfusH° 42.06 kJ/mol Joback Calculated Property
logPoct/wat 0.412 Crippen Calculated Property
McVol 237.220 ml/mol McGowan Calculated Property
Tboil 628.94 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [348.73; 688.74] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A8.93160e+01
Coefficient B1.09212e+00
Coefficient C-5.29800e-04
Coefficient D3.71000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 348.73 J/mol×K 273.00 Calculated Property
Cp,gas 411.02 J/mol×K 353.78 Calculated Property
Cp,gas 466.90 J/mol×K 434.56 Calculated Property
Cp,gas 516.50 J/mol×K 515.33 Calculated Property
Cp,gas 559.94 J/mol×K 596.11 Calculated Property
Cp,gas 597.32 J/mol×K 676.89 Calculated Property
Cp,gas 628.78 J/mol×K 757.67 Calculated Property
Cp,gas 654.42 J/mol×K 838.44 Calculated Property
Cp,gas 674.37 J/mol×K 919.22 Calculated Property
Cp,gas 688.74 J/mol×K 1000.00 Calculated Property

Similar Compounds

Pentaerythritol, tetrakis(mercaptoacetate). 1,3-Propanediol, 2-hydroxymethyl-2-methyl-, triacetate. Pentaerythritol tetraacetate. 2,2-dimethylpropane-1,3-diyl diacrylate. Pentaerythritol tetraacrylate. 1,3-Propanediol diisobutyrate, 2,2-dimethyl. 1-Propanol, 2,2-dimethyl-, acetate. 1,3-Propanediol, 2-methyl-, diacetate. Pentaerythrityl triacrylate. 3-[(2,2-Dichloropropanoyl)oxy]-2,2-bis([(2,2-dichloropropanoyl)oxy]methyl)propyl 2,2-dichloropropanoate. Diglycolic acid, di(neopentyl) ester. 2,2-dimethylpropane-1,3-diyl bis(2-methylacrylate). Diglycolic acid, ethyl neopentyl ester. Trimethylolpropane triacrylate. Butanoic acid, 2,2-dimethylpropyl ester.

Find more compounds similar to 1,3-Propanediol, 2-(hydroxymethyl)-2-methyl-, tris(mercaptoacetae).

Sources

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