Chemical Properties of (4aR,5S)-1-Hydroxy-4a,5-dimethyl-3-(propan-2-ylidene)-4,4a,5,6-tetrahydronaphthalen-2(3H)-one (CAS 669064-29-3)

(4aR,5S)-1-Hydroxy-4a,5-dimethyl-3-(propan-2-ylidene)-4,4a,5,6-tetrahydronaphthalen-2(3H)-one

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InChI
InChI=1S/C15H20O2/c1-9(2)11-8-15(4)10(3)6-5-7-12(15)14(17)13(11)16/h5,7,10,17H,6,8H2,1-4H3
InChI Key
IRTXMQLWUFCOHH-UHFFFAOYSA-N
Formula
C15H20O2
SMILES
CC(C)=C1CC2(C)C(=C(O)C1=O)C=CCC2C
Molecular Weight1
232.32
CAS
669064-29-3
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Physical Properties

Property Value Unit Source
Δf -38.81 kJ/mol Joback Calculated Property
Δfgas -347.80 kJ/mol Joback Calculated Property
Δfus 20.46 kJ/mol Joback Calculated Property
Δvap 72.05 kJ/mol Joback Calculated Property
log10WS -4.07 Crippen Calculated Property
logPoct/wat 3.710 Crippen Calculated Property
McVol 195.030 ml/mol McGowan Calculated Property
Pc 2379.54 kPa Joback Calculated Property
Inp [1895.10; 1895.10]   Show Hide
Inp 1895.10 NIST
Inp 1895.10 NIST
Tboil 748.20 K Joback Calculated Property
Tc 971.61 K Joback Calculated Property
Tfus 456.51 K Joback Calculated Property
Vc 0.738 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [578.26; 670.81] J/mol×K [748.20; 971.61] Show Hide
Cp,gas 578.26 J/mol×K 748.20 Joback Calculated Property
Cp,gas 594.86 J/mol×K 785.43 Joback Calculated Property
Cp,gas 610.82 J/mol×K 822.67 Joback Calculated Property
Cp,gas 626.27 J/mol×K 859.90 Joback Calculated Property
Cp,gas 641.34 J/mol×K 897.14 Joback Calculated Property
Cp,gas 656.14 J/mol×K 934.37 Joback Calculated Property
Cp,gas 670.81 J/mol×K 971.61 Joback Calculated Property

Similar Compounds

(4aR,5S)-1-Hydroxy-4a,5-dimethyl-3-(propan-2-ylidene)-4,4a,5,6,7,8-hexahydronaphthalen-2(3H)-one. 1«beta»-Acetoxyfuranoeudesm-3-ene. trans-Isohumulone, TMS. cis-Isohumulone, TMS. Physostigmine. Testosterone, 3-HFB, 17«beta»-pentadecaflorooctanoate. Testosterone, 3-HFB, 17«beta»-monochloacetate. Triamcinolone diacetate. Prednisone, tetra-TMS. Uridine, 2',3'-bis-O-acetyl, 5'-O-TBDMS. Acetyldihydrocodeine. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Uridine, 2'-O-TBDMS, 3'-O-acetyl, 5'-O-TBDMS. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. 1-Methyl-6«alpha»,7«alpha»-dihydroxyestrone, TMS.

Find more compounds similar to (4aR,5S)-1-Hydroxy-4a,5-dimethyl-3-(propan-2-ylidene)-4,4a,5,6-tetrahydronaphthalen-2(3H)-one.

Sources

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