Chemical Properties of 2«beta»-acetoxy-6«alpha»-methoxyformyl-trans-decalin

2«beta»-acetoxy-6«alpha»-methoxyformyl-trans-decalin

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InChI
InChI=1S/C14H22O4/c1-9(15)18-13-6-5-10-7-12(14(16)17-2)4-3-11(10)8-13/h10-13H,3-8H2,1-2H3/t10?,11?,12-,13+/m0/s1
InChI Key
NCMSMIKABKRKAE-IFWUJCSASA-N
Formula
C14H22O4
SMILES
COC(=O)C1CCC2CC(OC(C)=O)CCC2C1
Molecular Weight1
254.32
Sources

Physical Properties

Property Value Unit Source
Δf -343.16 kJ/mol Joback Calculated Property
Δfgas -741.61 kJ/mol Joback Calculated Property
Δfus 27.60 kJ/mol Joback Calculated Property
Δvap 64.97 kJ/mol Joback Calculated Property
logPoct/wat 2.31 Crippen Calculated Property
Pc 2111.94 kPa Joback Calculated Property
Tboil 693.52 K Joback Calculated Property
Tc 911.14 K Joback Calculated Property
Tfus 405.18 K Joback Calculated Property
Vc 0.75 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 608.68 J/mol×K 693.52 Joback Calculated Property
η 0.00 Pa×s 693.52 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-CH3 2
>CH- (ring) 4
-CH2- (ring) 6
>C=O (nonring) 2

Similar Compounds

2«beta»-acetoxy-6«beta»-methoxyformyl-trans-decalin. 2.beta.-hydroxy-6.beta.-methoxyformyl-trans-decalin. Methyl acetyl-isolithocholate. Cholan-24-oic acid, 3-(acetyloxy)-, methyl ester, (3«alpha»,5«beta»)-. Neocarvomenthyl acetate. Neoisocarvomenthyl acetate. Cyclohexanol, 2-methyl-5-(1-methylethyl)-, acetate, (1«alpha»,2«beta»,5«alpha»)-. Menthyl valerate. Butanoic acid, 3-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, (1«alpha»,2«beta»,5«alpha»)-. Isochenodeoxycholic acid, acetate-methyl ester. Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«alpha»)-. Cholan-24-oic acid, 3,7-bis(acetyloxy)-, methyl ester, (3«alpha»,5«beta»,7«beta»)-. Isoursodeoxycholic acid, acetate-methyl ester. Cyclohexanecarboxylic acid, 4-methoxy-, 4-methyl-2-pentyl ester. Norursodeoxycholic acid, acetate-methyl ester.

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