Chemical Properties of 2-Methyl-2-nitro-1,3-propanediol-di-p-toluenesulfonate (CAS 18386-50-0)

2-Methyl-2-nitro-1,3-propanediol-di-p-toluenesulfonate

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InChI
InChI=1S/C18H21NO8S2/c1-14-4-8-16(9-5-14)28(22,23)26-12-18(3,19(20)21)13-27-29(24,25)17-10-6-15(2)7-11-17/h4-11H,12-13H2,1-3H3
InChI Key
LMFKGBHKRFMVLT-UHFFFAOYSA-N
Formula
C18H21NO8S2
SMILES
Cc1ccc(S(=O)(=O)OCC(C)(COS(=O)(=O)c2ccc(C)cc2)[N+](=O)[O-])cc1
Molecular Weight1
443.49
CAS
18386-50-0
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Physical Properties

Property Value Unit Source
ΔfG° -802.45 kJ/mol Joback Calculated Property
ΔfH°gas -1155.38 kJ/mol Joback Calculated Property
ΔfusH° 58.76 kJ/mol Joback Calculated Property
ΔvapH° 118.92 kJ/mol Joback Calculated Property
log10WS -4.65 Crippen Calculated Property
logPoct/wat 2.450 Crippen Calculated Property
McVol 302.300 ml/mol McGowan Calculated Property
Pc 2482.59 kPa Joback Calculated Property
Tboil 963.57 K Joback Calculated Property
Tc 1198.96 K Joback Calculated Property
Tfus 638.11 K Joback Calculated Property
Vc 1.187 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [919.13; 948.69] J/mol×K [963.57; 1198.96] Show Hide
Cp,gas 919.13 J/mol×K 963.57 Joback Calculated Property
Cp,gas 928.61 J/mol×K 1002.80 Joback Calculated Property
Cp,gas 936.23 J/mol×K 1042.03 Joback Calculated Property
Cp,gas 942.04 J/mol×K 1081.26 Joback Calculated Property
Cp,gas 946.03 J/mol×K 1120.50 Joback Calculated Property
Cp,gas 948.24 J/mol×K 1159.73 Joback Calculated Property
Cp,gas 948.69 J/mol×K 1198.96 Joback Calculated Property

Similar Compounds

2-Methyl-2-p-toluenesulfonylamino-1,3-propanediol di-p-toluenesulfonate. 4-Ethyl-4-(p-toluenesulfonoxymethyl)-2-methyl-delta^2-oxazoline. Benzenesulfonic acid, 4-methyl-, 2-methylpropyl ester. 2-Methyl-2-p-toluenesulfonylamino-1,3-propanediol acetate p-toluenesulfonate. N-1-[1,1-bis(p-toluenesulfonoxymethyl)propyl]-p-toluenesulfonamide. (2S)-Glycidyl tosylate. Hydroxyacetone p-Toluenesulfonate. Benzenesulfonic acid, 4-methyl-, butyl ester. Trans-1,2-cyclopentanediol bis-p-toluene sulfonate. Indapamide. Gamma-chloro-n-propyl-p-toluene sulfonate. Warfarin, heptafluorobutyrate. Zidovudine. 2-Hydroxymethyl-3-(o-tolyl)-4(3H)-quinazolinone (Methaqualone M). Spartioidine.

Find more compounds similar to 2-Methyl-2-nitro-1,3-propanediol-di-p-toluenesulfonate.

Sources

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