Chemical Properties of 2-Propanone, 1-(5-methyl-3H-1,2-dithiol-3-ylidene)- (CAS 1005-55-6)

2-Propanone, 1-(5-methyl-3H-1,2-dithiol-3-ylidene)-

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InChI
InChI=1S/C7H8OS2/c1-5(8)3-7-4-6(2)9-10-7/h3-4H,1-2H3/b7-3-
InChI Key
YAIGSGPVNPIUNY-CLTKARDFSA-N
Formula
C7H8OS2
SMILES
CC(=O)C=C1C=C(C)SS1
Molecular Weight1
172.27
CAS
1005-55-6
Other Names
  • 3,5-Heptadien-2-one, 4,6-epidithio-
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Physical Properties

Property Value Unit Source
ΔfG° 68.91 kJ/mol Joback Calculated Property
ΔfH°gas -6.71 kJ/mol Joback Calculated Property
ΔfusH° 16.82 kJ/mol Joback Calculated Property
ΔvapH° 51.85 kJ/mol Joback Calculated Property
IE 7.68 eV NIST
log10WS -3.38 Crippen Calculated Property
logPoct/wat 2.758 Crippen Calculated Property
McVol 124.300 ml/mol McGowan Calculated Property
Pc 4026.13 kPa Joback Calculated Property
Tboil 539.82 K Joback Calculated Property
Tc 787.85 K Joback Calculated Property
Tfus 424.26 K Joback Calculated Property
Vc 0.436 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [246.89; 299.72] J/mol×K [539.82; 787.85] Show Hide
Cp,gas 246.89 J/mol×K 539.82 Joback Calculated Property
Cp,gas 257.42 J/mol×K 581.16 Joback Calculated Property
Cp,gas 267.18 J/mol×K 622.50 Joback Calculated Property
Cp,gas 276.24 J/mol×K 663.83 Joback Calculated Property
Cp,gas 284.65 J/mol×K 705.17 Joback Calculated Property
Cp,gas 292.46 J/mol×K 746.51 Joback Calculated Property
Cp,gas 299.72 J/mol×K 787.85 Joback Calculated Property

Similar Compounds

2-(hydroxymethyl)-6-(3-nitrophenoxy)oxane-3,4,5-triol. (E)-10-Dodecenoic acid, 9,12-dioxo, methyl ester, «omega»-PFB-oxime, TMS-enol, # 1. 10-Epigazaniolide. Gazaniolide. Tocotrienol, 5-methyl. Fentiazac. (+)-(4S,5S,6S,7S)-Plagiochiline W. (+)-Plagiochiline W. 2,4-Pentadienoic acid, 5-(8-hydroxy-1,5-dimethyl-3-oxo-6-oxabicyclo[3.2.1]oct-8-yl)-3-methyl-, [1R-[1«alpha»,5«alpha»,8S*(2Z,4E)]]-. (17-acetyl-6-chloro-10,13-dimethyl-3-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl) acetate. Butylidene dihydrophthalide. 3-Ethyl-2-isopropyl-3,5-dimethyl-1,4,2-diazaphosphorine-2-oxide. Testosterone, 3-HFB, 17«beta»-chlorodifluoroacetate. Testosterone, 3-HFB, 17«beta»-monochloacetate. Testosterone, 3,17«beta»-bispentafluoropropionate.

Find more compounds similar to 2-Propanone, 1-(5-methyl-3H-1,2-dithiol-3-ylidene)-.

Sources

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