Chemical Properties of (S)-6-(2-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-methoxy-5,6-dihydro-2H-pyran-2-one (CAS 19902-91-1)

(S)-6-(2-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-methoxy-5,6-dihydro-2H-pyran-2-one

InChI
InChI=1S/C15H16O5/c1-17-12-7-11(20-15(16)8-12)4-2-10-3-5-13-14(6-10)19-9-18-13/h3,5-6,8,11H,2,4,7,9H2,1H3/t11-/m1/s1
InChI Key
RSIWXFIBHXYNFM-LLVKDONJSA-N
Formula
C15H16O5
SMILES
COC1=CC(=O)OC(CCc2ccc3c(c2)OCO3)C1
Molecular Weight1
276.28
CAS
19902-91-1
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Physical Properties

Property Value Unit Source
ΔfusH° 43.32 kJ/mol Joback Calculated Property
logPoct/wat 2.194 Crippen Calculated Property
McVol 197.480 ml/mol McGowan Calculated Property
Inp [2571.80; 2571.80]   Show Hide
Inp 2571.80 NIST
Inp 2571.80 NIST
Tboil 659.86 K Relay (1.0) Calculated Property

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [280.03; 654.49] 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-1.99680e+01
Coefficient B1.31012e+00
Coefficient C-8.25560e-04
Coefficient D1.89900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 280.03 J/mol×K 273.00 Calculated Property
Cp,gas 348.61 J/mol×K 353.78 Calculated Property
Cp,gas 409.04 J/mol×K 434.56 Calculated Property
Cp,gas 461.93 J/mol×K 515.33 Calculated Property
Cp,gas 507.87 J/mol×K 596.11 Calculated Property
Cp,gas 547.48 J/mol×K 676.89 Calculated Property
Cp,gas 581.34 J/mol×K 757.67 Calculated Property
Cp,gas 610.07 J/mol×K 838.44 Calculated Property
Cp,gas 634.25 J/mol×K 919.22 Calculated Property
Cp,gas 654.49 J/mol×K 1000.00 Calculated Property
Property Value Unit Temperature (K) Source
η [0.0015323; 0.0004770] Pa×s [477.85; 676.14] Joback Predicted correlation Show Hide
EquationY = exp(A + B/T + C·ln(T) + D·T^E)
Y is η in Pa×s, T in K
Coefficient A-1.04606e+01
Coefficient B1.90165e+03
Coefficient C0.00000e+00
Coefficient D0.00000e+00
Coefficient E0.00000e+00
CommentLiquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.477.85
Temperature range, max.676.14
η 0.0015323 Pa×s 477.85 Calculated Property
η 0.0012858 Pa×s 499.88 Calculated Property
η 0.0010951 Pa×s 521.91 Calculated Property
η 0.0009448 Pa×s 543.95 Calculated Property
η 0.0008246 Pa×s 565.98 Calculated Property
η 0.0007271 Pa×s 588.01 Calculated Property
η 0.0006469 Pa×s 610.04 Calculated Property
η 0.0005803 Pa×s 632.07 Calculated Property
η 0.0005244 Pa×s 654.11 Calculated Property
η 0.0004770 Pa×s 676.14 Calculated Property

Similar Compounds

2H-Pyran-2-one, 6-[2-(3,4-dimethoxyphenyl)ethyl]-5,6-dihydro-4-methoxy-, (S)-. 4-Methoxy-6-(4-methoxyphenethyl)-5,6-dihydro-2H-pyran-2-one. (E)-4-(2-(2-(2,6-Dimethylhepta-1,5-dien-1-yl)-6-pentyl-1,3-dioxan-4-yl)ethyl)-2-methoxyphenol. RESCINNAMINE. QUINIDINE, M(HO-), AC. Nalmefene. Methysergide. 3-O,6-O,N-Triacetylnormorphine. Nicocodine. BUPRENORPHINE. adenosine-3'-monophosphate, TMS. Dehydrojaconine. CODEIN-PROPIONYL. Benzylmorphine. ERGOTAMINE.

Find more compounds similar to (S)-6-(2-(Benzo[d][1,3]dioxol-5-yl)ethyl)-4-methoxy-5,6-dihydro-2H-pyran-2-one.

Sources

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