Chemical Properties of Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester (CAS 50512-35-1)

Propanedioic acid, 1,3-dithiolan-2-ylidene-, bis(1-methylethyl) ester

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InChI
InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3
InChI Key
UFHLMYOGRXOCSL-UHFFFAOYSA-N
Formula
C12H18O4S2
SMILES
CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCCS1
Molecular Weight1
290.40
CAS
50512-35-1
Other Names
  • Bis(1-methylethyl) 1,3-dithiolan-2-ylidenepropanedioate
  • Di-isopropyl 1,3-dithiolane-2-ylidenemalonate
  • Diisopropyl 2-(1,3-dithiolan-2-ylidene)propanedioate
  • Fudiolan
  • Fuji 1
  • Fujione
  • IPT
  • IPT (pesticide)
  • Isoprothiolane
  • Malonic acid, 2-(1,3-dithiolan-2-ylidene), diisopropyl ester
  • NKK 100
  • NNF-109
  • Propanedioic acid, 2-(1,3-dithiolan-2-ylidene)-, 1,3-bis(1-methylethyl) ester
  • SS 11946
Sources

Physical Properties

Property Value Unit Source
Δf -261.67 kJ/mol Joback Calculated Property
Δfgas -553.59 kJ/mol Joback Calculated Property
Δfus 24.55 kJ/mol Joback Calculated Property
Δvap 72.90 kJ/mol Joback Calculated Property
logPoct/wat 2.58 Crippen Calculated Property
Pc 2433.84 kPa Joback Calculated Property
Tboil 747.79 K Joback Calculated Property
Tc 981.23 K Joback Calculated Property
Tfus 517.76 K Joback Calculated Property
Vc 0.76 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 573.55 J/mol×K 747.79 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 2
-O- (nonring) 2
=C< 1
-S- (ring) 2
>C=O (nonring) 2
=C< (ring) 1
-CH3 4
-CH2- (ring) 2

Similar Compounds

Isoprothiolane sulfoxide. Propanedioic acid, (ethoxymethylene)-, diethyl ester. Malonic acid, dimethylaminomethylene-, diethyl ester. Diethyl isopropylidenemalonate. Diethyl ethylidenemalonate. Propanedioic acid, (phenylmethylene)-, diethyl ester. Tetraethyl ethylenetetracarboxylate. Malonic acid, (alpha,alpha,alpha-trifluoro-m-toluidine)methylene-, diethyl ester. Diethyl 2-phthalimidomalonate. Isopentyl 3-hydroxy-2-methylenebutanoate. Isopentyl 3-hydroxy-2-methylenebutanoate. 1,3-Butanediol, bis(2-methylpropenoate). Minalobine O. Minalobine M. 4-Methylpentyl 3-hydroxy-2-methylenebutanoate.

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