Chemical Properties of Hexahydro-3-butylphthalide (CAS 3553-34-2)

Hexahydro-3-butylphthalide

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InChI
InChI=1S/C12H20O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h9-11H,2-8H2,1H3
InChI Key
TZRMFZSOOVBPPN-UHFFFAOYSA-N
Formula
C12H20O2
SMILES
CCCCC1OC(=O)C2CCCCC12
Molecular Weight1
196.29
CAS
3553-34-2
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Physical Properties

Property Value Unit Source
Δf -81.06 kJ/mol Joback Calculated Property
Δfgas -453.93 kJ/mol Joback Calculated Property
Δfus 25.37 kJ/mol Joback Calculated Property
Δvap 51.10 kJ/mol Joback Calculated Property
log10WS -3.13 Crippen Calculated Property
logPoct/wat 2.908 Crippen Calculated Property
McVol 165.660 ml/mol McGowan Calculated Property
Pc 2398.22 kPa Joback Calculated Property
Inp 1645.80 NIST
Tboil 590.35 K Joback Calculated Property
Tc 810.19 K Joback Calculated Property
Tfus 340.87 K Joback Calculated Property
Vc 0.625 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [459.11; 566.71] J/mol×K [590.35; 810.19] Show Hide
Cp,gas 459.11 J/mol×K 590.35 Joback Calculated Property
Cp,gas 479.95 J/mol×K 626.99 Joback Calculated Property
Cp,gas 499.59 J/mol×K 663.63 Joback Calculated Property
Cp,gas 518.06 J/mol×K 700.27 Joback Calculated Property
Cp,gas 535.39 J/mol×K 736.91 Joback Calculated Property
Cp,gas 551.59 J/mol×K 773.55 Joback Calculated Property
Cp,gas 566.71 J/mol×K 810.19 Joback Calculated Property

Similar Compounds

(3S,3aS,6R,7[a]R)-Perhydro-3,6-dimethyl-benzo-[b]-furan-2-one. (3R,3aS,6R,7[a]R)-Perhydro-3,6-dimethyl-benzo-[b]-furan-2-one. (3R,3aR,6R,7[a]S)-Perhydro-3,6-dimethyl-benzo-[b]-furan-2-one. 1,2-Cyclohexanedicarboxylic acid, di(2-methylcyclohexyl) ester. 1,2-Cyclohexanedicarboxylic acid, di(3,5-dimethylcyclohexyl) ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl butyl ester. 1,2-Cyclohexanedicarboxylic acid, isobutyl 2-methylcyclohexyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl octyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl undecyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl isohexyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl heptyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl hexyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl decyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl nonyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl pentyl ester.

Find more compounds similar to Hexahydro-3-butylphthalide.

Sources

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