Chemical Properties of 3-Hydroxyhexadecane-1-sulfonic acid, gamma-sultone

3-Hydroxyhexadecane-1-sulfonic acid, gamma-sultone

InChI
InChI=1S/C16H32O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-14-15-20(17,18)19-16/h16H,2-15H2,1H3
InChI Key
UEBQFXPPZASWJO-UHFFFAOYSA-N
Formula
C16H32O3S
SMILES
CCCCCCCCCCCCCC1CCS(=O)(=O)O1
Molecular Weight1
304.50
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfH°gas -807.90 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 50.01 kJ/mol Joback Calculated Property
ΔvapH° 126.35 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 4.806 Crippen Calculated Property
McVol 259.400 ml/mol McGowan Calculated Property
Tfus 307.89 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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 [379.09; 916.57] 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 A-1.93580e+01
Coefficient B1.70613e+00
Coefficient C-9.53400e-04
Coefficient D1.83200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 379.09 J/mol×K 273.00 Calculated Property
Cp,gas 473.02 J/mol×K 353.78 Calculated Property
Cp,gas 557.05 J/mol×K 434.56 Calculated Property
Cp,gas 631.75 J/mol×K 515.33 Calculated Property
Cp,gas 697.70 J/mol×K 596.11 Calculated Property
Cp,gas 755.49 J/mol×K 676.89 Calculated Property
Cp,gas 805.69 J/mol×K 757.67 Calculated Property
Cp,gas 848.89 J/mol×K 838.44 Calculated Property
Cp,gas 885.65 J/mol×K 919.22 Calculated Property
Cp,gas 916.57 J/mol×K 1000.00 Calculated Property

Similar Compounds

1,2-Oxathiane, 6-dodecyl-, 2,2-dioxide. Octadecane-1-sulfonic acid, 4-hydroxy-, delta-sultone. Tetradecane-1-sulfonic acid, 4-hydroxy-, delta-sultone. R,S-4'-methyl-«alpha»-pyrrolidinohexanophenone-M (carboxy-HO-alkyl-), 2TMS. Cytosine arabinoside, dimethyl-TMS derivative. 7,8-Dihydro-L-Biopterin, pentakis(trimethylsilyl) derivative. Lincomycin. Cytosine arabinoside, dimethyl-propyldimethylsilyl derivative. Cytosine arabinoside, methyl-TMS derivative. 2(1H)-Pyrimidinone, 1-[2,3-bis-O-(trimethylsilyl)-«beta»-D-ribofuranosyl]-4-(trimethylsiloxy)-, 5'-[bis(trimethylsilyl) phosphate]. 7-Ethyl-2-methylnonane-4,6-diol, ferrocenylboronate. GA3-3.beta.-O-glucoside, permethylated. GA7-3.beta.-O-glucoside, permethylated. 2-(hydroxymethyl)-6-(3-nitrophenoxy)oxane-3,4,5-triol. 1-Tetrahydrocannabinol, 7-hydroxy, TMS.

Find more compounds similar to 3-Hydroxyhexadecane-1-sulfonic acid, gamma-sultone.

Sources

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.
These property values are available through the Cheméo API. A free account gives you an access key.