Chemical Properties of 1H-2-Benzothiopyran, 3,4-dihydro- (CAS 4426-75-9)

1H-2-Benzothiopyran, 3,4-dihydro-

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InChI
InChI=1S/C9H10S/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4H,5-7H2
InChI Key
ZZQUQFZVCJWSER-UHFFFAOYSA-N
Formula
C9H10S
SMILES
c1ccc2c(c1)CCSC2
Molecular Weight1
150.24
CAS
4426-75-9
Other Names
  • Isothiochroman
  • Thioisochroman
  • 3,4-Dihydro-1H-2-benzothiopyran
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Physical Properties

Property Value Unit Source
ΔfG° 223.90 kJ/mol Joback Calculated Property
ΔfH°gas 128.21 kJ/mol Joback Calculated Property
ΔfusH° 11.34 kJ/mol Joback Calculated Property
ΔvapH° 44.77 kJ/mol Joback Calculated Property
IE 8.70 eV NIST
log10WS -2.93 Crippen Calculated Property
logPoct/wat 2.476 Crippen Calculated Property
McVol 119.400 ml/mol McGowan Calculated Property
Pc 3985.56 kPa Joback Calculated Property
Tboil 500.49 K Joback Calculated Property
Tc 752.24 K Joback Calculated Property
Tfus 332.24 K Joback Calculated Property
Vc 0.427 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [243.01; 317.39] J/mol×K [500.49; 752.24] Show Hide
Cp,gas 243.01 J/mol×K 500.49 Joback Calculated Property
Cp,gas 258.17 J/mol×K 542.45 Joback Calculated Property
Cp,gas 272.10 J/mol×K 584.41 Joback Calculated Property
Cp,gas 284.90 J/mol×K 626.37 Joback Calculated Property
Cp,gas 296.65 J/mol×K 668.33 Joback Calculated Property
Cp,gas 307.45 J/mol×K 710.28 Joback Calculated Property
Cp,gas 317.39 J/mol×K 752.24 Joback Calculated Property

Similar Compounds

Tetrahydrozoline. 2,6-Methano-1,4(2h)-benzoxazocin-5(6h)-one,4(3h)-cyclohexyl-6-phenyl-. Avenaciolide, 6-[2-(3-bromophenyl)ethyl]. 2-Acetyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cycloheptene. Avenaciolide, 6-[2-(4-methylphenyl)ethyl]. Mianserin. Avenaciolide, 6-(2-phenylethyl). Avenaciolide, 6-[2-(4-trifluoromethylphenyl)ethyl]. Avenaciolide, 6-[2-(3-chlorophenyl)ethyl]. 2-Methyl-1,2,3,4,9,13b-hexahydro-2,4a-diaza-tribenzo[a,c,E]cyclohepten-7-ol, acetate. N-Desmethyl mianserin. 3-Hydroxy-17alpha-oxa-d-homoestra-1,3,5(10),6,8-pentaen-17-one. Isoquinoline, 1-benzyl-1,2,3,4-tetrahydro-. propyl-cannabinolic acid, TMS. (-)-Bunolol methoxime, PFB-TMS.

Find more compounds similar to 1H-2-Benzothiopyran, 3,4-dihydro-.

Sources

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