Chemical Properties of 1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-, (1S,3aR,4S,6aR)- (CAS 607-80-7)

1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-, (1S,3aR,4S,6aR)-

InChI
InChI=1S/C20H18O6/c1-3-15-17(25-9-23-15)5-11(1)19-13-7-22-20(14(13)8-21-19)12-2-4-16-18(6-12)26-10-24-16/h1-6,13-14,19-20H,7-10H2
InChI Key
PEYUIKBAABKQKQ-UHFFFAOYSA-N
Formula
C20H18O6
SMILES
c1cc2c(cc1C1OCC3C(c4ccc5c(c4)OCO5)OCC13)OCO2
Molecular Weight1
354.35
CAS
607-80-7
Other Names
  • sesamin
  • (1S,3aR,4S,6aR)-1,4-Bis(benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan
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Physical Properties

Property Value Unit Source
ω 0.7401 Relay (1.0) Calculated Property
ΔfG° 5.90 kJ/mol Joback Calculated Property
ΔfH°gas -606.22 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 70.30 kJ/mol Joback Calculated Property
ΔvapH° 130.48 kJ/mol Relay (1.0) Calculated Property
IE 7.59 eV Relay (1.0) Calculated Property
log10WS -4.35 Relay (1.0) Calculated Property
logPoct/wat 3.219 Crippen Calculated Property
McVol 236.920 ml/mol McGowan Calculated Property
Pc 2450.74 kPa Joback Calculated Property
Inp [3150.90; 3150.90]   Show Hide
Inp 3150.90 NIST
Inp 3150.90 NIST
Tboil 703.42 K Relay (1.0) Calculated Property
Tc 1035.24 K Relay (1.0) Calculated Property
Tfus 450.30 K Relay (1.0) Calculated Property
Vc 0.970 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [815.93; 904.09] J/mol×K [927.48; 1193.90] Show Hide
Cp,gas 815.93 J/mol×K 927.48 Joback Calculated Property
Cp,gas 831.91 J/mol×K 971.88 Joback Calculated Property
Cp,gas 847.04 J/mol×K 1016.29 Joback Calculated Property
Cp,gas 861.58 J/mol×K 1060.69 Joback Calculated Property
Cp,gas 875.78 J/mol×K 1105.10 Joback Calculated Property
Cp,gas 889.86 J/mol×K 1149.50 Joback Calculated Property
Cp,gas 904.09 J/mol×K 1193.90 Joback Calculated Property
η [0.0023380; 0.0054836] Pa×s [642.22; 927.48] Show Hide
η 0.0054836 Pa×s 642.22 Joback Calculated Property
η 0.0045300 Pa×s 689.76 Joback Calculated Property
η 0.0038355 Pa×s 737.31 Joback Calculated Property
η 0.0033137 Pa×s 784.85 Joback Calculated Property
η 0.0029111 Pa×s 832.39 Joback Calculated Property
η 0.0025934 Pa×s 879.94 Joback Calculated Property
η 0.0023380 Pa×s 927.48 Joback Calculated Property

Similar Compounds

5-((1S,3aR,4S,6aR)-4-(3,4,5-Trimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxole. 4-Methoxy-6-((1S,3aR,4S,6aR)-4-(3,4,5-trimethoxyphenyl)hexahydrofuro[3,4-c]furan-1-yl)benzo[d][1,3]dioxole. 5-(((1R,3aR,4S,6aR)-4-(Benzo[d][1,3]dioxol-5-yl)hexahydrofuro[3,4-c]furan-1-yl)oxy)benzo[d][1,3]dioxole. 12-O-Methylcarnosol. (2S,3S,4S,5S)-2-(3,4-Dimethoxyphenyl)-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran. ethyl eburnamenine-14-carboxylate. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 1. Poligodial + o-Tyr (ethyl ester) adduct (R,S), acetylated, # 2. Vobassan-17-oic acid, 4-demethyl-3-oxo-, methyl ester. 2,4-Bis(4-methoxyphenyl)-3,5-dimethyltetrahydrofuran. 4-((2R,3R,4R,5R)-3,4-Dimethyl-5-(3,4,5-trimethoxyphenyl)tetrahydrofuran-2-yl)-2-methoxyphenol. Rescinnamine. 6-acetyl-3-propionyl-morphine. 3-propionyl-morphine. Brucine.

Find more compounds similar to 1,3-Benzodioxole, 5,5'-(tetrahydro-1H,3H-furo[3,4-c]furan-1,4-diyl)bis-, (1S,3aR,4S,6aR)-.

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