Chemical Properties of Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3R-(3«alpha»,3a«beta»,5a«alpha»,9b«alpha»)]- (CAS 481-07-2)

Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3R-(3«alpha»,3a«beta»,5a«alpha»,9b«alpha»)]-

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InChI
InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10+,13+,15+/m1/s1
InChI Key
XJHDMGJURBVLLE-OMSPQPPYSA-N
Formula
C15H18O3
SMILES
CC1=C2C3OC(=O)C(C)C3CCC2(C)C=CC1=O
Molecular Weight1
246.30
CAS
481-07-2
Other Names
  • Eudesma-1,4-dien-12-oic acid, 6«alpha»-hydroxy-3-oxo-, «gamma»-lactone, (11R)-
  • «beta»-Santonin
  • «beta»-Santonin-[3R-(3«alpha»,3a«beta»,5a«alpha»,9b«alpha»)]- 3a,5,5a,9b-tetrahydro- 3,5a,9-trimethylnaphthalene
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Physical Properties

Property Value Unit Source
Δcsolid -7887.80 ± 1.80 kJ/mol NIST
Δf -94.57 kJ/mol Joback Calculated Property
Δfgas -479.05 kJ/mol Joback Calculated Property
Δfsolid -587.30 ± 1.80 kJ/mol NIST
Δfus 24.05 kJ/mol Joback Calculated Property
Δvap 62.86 kJ/mol Joback Calculated Property
log10WS -3.02 Crippen Calculated Property
logPoct/wat 2.420 Crippen Calculated Property
McVol 190.040 ml/mol McGowan Calculated Property
Pc 2372.59 kPa Joback Calculated Property
Tboil 746.34 K Joback Calculated Property
Tc 1001.68 K Joback Calculated Property
Tfus 507.78 K Joback Calculated Property
Vc 0.719 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [593.98; 703.26] J/mol×K [746.34; 1001.68] Show
T(K)
Ideal gas heat capacity (J/mol×K)
600
620
640
660
680
700
800
900
1000
Cp,gas 593.98 J/mol×K 746.34 Joback Calculated Property
Cp,gas 614.21 J/mol×K 788.90 Joback Calculated Property
Cp,gas 633.42 J/mol×K 831.45 Joback Calculated Property
Cp,gas 651.77 J/mol×K 874.01 Joback Calculated Property
Cp,gas 669.43 J/mol×K 916.57 Joback Calculated Property
Cp,gas 686.54 J/mol×K 959.12 Joback Calculated Property
Cp,gas 703.26 J/mol×K 1001.68 Joback Calculated Property

Similar Compounds

6-«alpha»(H)-Santonin. 6,11-«alpha»(H)-Santonin. «alpha»-Santonin. 8-epi-1,2-Dihydroartemisin. Betamethasone-17-valerate. Triamcinolone Acetonide. Triamcinolone diacetate. Digoxin (L1=41,8mg/mL, L2=68,2mg/mL, Z=40,1mg/mL). Digitoxin. Betamethasone dipropionate. O-Crotaverrine. Neosenkirkine. Renardine. GA3-13-O-glucoside, permethylated. GA5-13-O-«beta»-D-glucopyranoside, permethyl.

Find more compounds similar to Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3R-(3«alpha»,3a«beta»,5a«alpha»,9b«alpha»)]-.

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