Chemical Properties of (2R,3R,4aR,5S,8aS)-2-Hydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-2,3,4,4a,5,6-hexahydronaphthalen-1(8aH)-one (CAS 5090-89-1)

(2R,3R,4aR,5S,8aS)-2-Hydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-2,3,4,4a,5,6-hexahydronaphthalen-1(8aH)-one

InChI
InChI=1S/C15H22O2/c1-9(2)11-8-15(4)10(3)6-5-7-12(15)14(17)13(11)16/h5,7,10-13,16H,1,6,8H2,2-4H3
InChI Key
UALVHXGADCCBEW-UHFFFAOYSA-N
Formula
C15H22O2
SMILES
C=C(C)C1CC2(C)C(C)CC=CC2C(=O)C1O
Molecular Weight1
234.33
CAS
5090-89-1
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Physical Properties

Property Value Unit Source
ΔfusH° 21.62 kJ/mol Joback Calculated Property
logPoct/wat 2.731 Crippen Calculated Property
McVol 199.330 ml/mol McGowan Calculated Property
Inp [1776.50; 1776.50]   Show Hide
Inp 1776.50 NIST
Inp 1776.50 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [262.84; 744.81] 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-1.17070e+02
Coefficient B1.69426e+00
Coefficient C-1.21228e-03
Coefficient D3.79900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 262.84 J/mol×K 273.00 Calculated Property
Cp,gas 347.42 J/mol×K 353.78 Calculated Property
Cp,gas 421.43 J/mol×K 434.56 Calculated Property
Cp,gas 486.09 J/mol×K 515.33 Calculated Property
Cp,gas 542.59 J/mol×K 596.11 Calculated Property
Cp,gas 592.14 J/mol×K 676.89 Calculated Property
Cp,gas 635.93 J/mol×K 757.67 Calculated Property
Cp,gas 675.17 J/mol×K 838.44 Calculated Property
Cp,gas 711.07 J/mol×K 919.22 Calculated Property
Cp,gas 744.81 J/mol×K 1000.00 Calculated Property

Similar Compounds

(2R,3R,4aR,5S,8aS)-2-Hydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)octahydronaphthalen-1(2H)-one. (2R,3R,4aR,5S)-2-Hydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-3,4,4a,5,6,7-hexahydronaphthalen-1(2H)-one. Simvastatin. Antheridic acid, MeTMS. prednisolone-21-trimethylacetate. GIBBERELLIC ACID. Triamcinolone Acetonide. Triamcinolone diacetate. GA34, methyl ester. 9Alpha-fluoro-16alpha-methylprednisolone-21-phosphate disodium salt. 9,11-didehydro GA4. Prednisolone Acetate. Betamethasone-17-valerate. Budesonide. 2Alpha,11beta,17alpha,21-tetrahydroxypregn-4-ene-3,20-dione.

Find more compounds similar to (2R,3R,4aR,5S,8aS)-2-Hydroxy-4a,5-dimethyl-3-(prop-1-en-2-yl)-2,3,4,4a,5,6-hexahydronaphthalen-1(8aH)-one.

Sources

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