Chemical Properties of (Z) 1-(4-Methoxyphenyl)-3-phenyl-3-thioxo-1-propen-1-ol

(Z) 1-(4-Methoxyphenyl)-3-phenyl-3-thioxo-1-propen-1-ol

InChI
InChI=1S/C16H14O2S/c1-18-14-9-7-12(8-10-14)15(17)11-16(19)13-5-3-2-4-6-13/h2-11,17H,1H3/b15-11-
InChI Key
IJXXYIYPKAEPGP-PTNGSMBKSA-N
Formula
C16H14O2S
SMILES
COc1ccc(/C(O)=C/C(=S)c2ccccc2)cc1
Molecular Weight1
270.35
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Physical Properties

Property Value Unit Source
ΔfH°gas -64.21 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 33.66 kJ/mol Joback Calculated Property
ΔvapH° 120.88 kJ/mol Relay (1.0) Calculated Property
IE 7.69 eV Relay (1.0) Calculated Property
log10WS -4.44 Relay (1.0) Calculated Property
logPoct/wat 4.012 Crippen Calculated Property
McVol 208.270 ml/mol McGowan Calculated Property
Pc 2820.33 kPa Joback Calculated Property
Tboil 658.06 K Relay (1.0) Calculated Property
Tfus 399.70 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [255.13; 605.91] 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-5.58400e+01
Coefficient B1.40461e+00
Coefficient C-1.05886e-03
Coefficient D3.16000e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 255.13 J/mol×K 273.00 Calculated Property
Cp,gas 322.55 J/mol×K 353.78 Calculated Property
Cp,gas 380.52 J/mol×K 434.56 Calculated Property
Cp,gas 430.05 J/mol×K 515.33 Calculated Property
Cp,gas 472.14 J/mol×K 596.11 Calculated Property
Cp,gas 507.78 J/mol×K 676.89 Calculated Property
Cp,gas 537.98 J/mol×K 757.67 Calculated Property
Cp,gas 563.74 J/mol×K 838.44 Calculated Property
Cp,gas 586.05 J/mol×K 919.22 Calculated Property
Cp,gas 605.91 J/mol×K 1000.00 Calculated Property

Similar Compounds

(Z) 1,3-Diphenyl-3-thioxo-1-propen-1-ol. (Z) 1-(4-Bromophenyl)-3-phenyl-3-thioxo-1-propen-1-ol. 3-Flavene. PROPAFENONE-H2O, M(HO-)-H2O, AC. Amitriptyline M(Nor-HO), acetylated. Dosulepin-M (nor-HO-) 2AC. 2-Acetoxy-1-(N-acetyl-N-isopropyl)amino-3-(4-acetoxy-2-allylphenoxy)propane. Dosulepin-M (HO-) isomer-2 AC. Alprenolol, N,O-di(acetyl)-. Nadolol, N-methyl-, trimethyl ether. 2-Acetoxy-1-(N-acetyl-N-isopropyl)amino-3-[4-(2-cyclopropylmethoxyethyl)phenoxy]propane. (1S,2R)-2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)propan-1-ol. 3,4-(2'-METHYL-2'METHOXY-4'-PHENYL)-DIHYDROPYRANCUMARINE. 7-tiglyl echinatine, diTMS, dihydro. 7-angelyl echinatine, diTMS, dihydro.

Find more compounds similar to (Z) 1-(4-Methoxyphenyl)-3-phenyl-3-thioxo-1-propen-1-ol.

Sources

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