Chemical Properties of 1H-2-Benzothiopyran, 3,4-dihydro-

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

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
150.25
Other Names
  • Isothiochroman
  • Thioisochroman
  • 3,4-Dihydro-1H-2-benzothiopyran
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Physical Properties

Property Value Unit Source
ω 0.3043 Relay (1.0) Calculated Property
ΔfG° 223.90 kJ/mol Joback Calculated Property
ΔfH°gas 120.23 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 11.34 kJ/mol Joback Calculated Property
ΔvapH° 66.53 kJ/mol Relay (1.0) Calculated Property
IE 8.70 eV NIST
log10WS -2.44 Relay (1.0) 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 528.73 K Relay (1.0) Calculated Property
Tc 779.05 K Relay (1.0) Calculated Property
Tfus 290.00 K Relay (1.0) Calculated Property
Vc 0.421 m3/kmol Relay (1.0) Calculated Property

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [135.64; 363.27] 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-6.43800e+01
Coefficient B9.02610e-01
Coefficient C-6.77860e-04
Coefficient D2.02900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 135.64 J/mol×K 273.00 Calculated Property
Cp,gas 179.09 J/mol×K 353.78 Calculated Property
Cp,gas 216.50 J/mol×K 434.56 Calculated Property
Cp,gas 248.51 J/mol×K 515.33 Calculated Property
Cp,gas 275.78 J/mol×K 596.11 Calculated Property
Cp,gas 298.93 J/mol×K 676.89 Calculated Property
Cp,gas 318.62 J/mol×K 757.67 Calculated Property
Cp,gas 335.47 J/mol×K 838.44 Calculated Property
Cp,gas 350.14 J/mol×K 919.22 Calculated Property
Cp,gas 363.27 J/mol×K 1000.00 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-(4-trifluoromethylphenyl)ethyl]. Avenaciolide, 6-(2-phenylethyl). 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. 3-Hydroxy-17alpha-oxa-d-homoestra-1,3,5(10),6,8-pentaen-17-one. N-Desmethylmianserin. ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1-(PHENYLMETHYL)-. propyl-cannabinolic acid, TMS. (-)-Bunolol methoxime, PFB-TMS.

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

Sources

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