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

Hexahydro-3-butylphthalide

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
ΔfusH° 26.45 kJ/mol Joback Calculated Property
ΔvapH° 77.26 kJ/mol Relay (1.0) Calculated Property
logPoct/wat 2.908 Crippen Calculated Property
McVol 165.660 ml/mol McGowan Calculated Property
Inp 1645.80 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [431.82; 530.40] J/mol×K [545.46; 742.69] Show Hide
Cp,gas 431.82 J/mol×K 545.46 Joback Calculated Property
Cp,gas 450.80 J/mol×K 578.33 Joback Calculated Property
Cp,gas 468.70 J/mol×K 611.20 Joback Calculated Property
Cp,gas 485.56 J/mol×K 644.08 Joback Calculated Property
Cp,gas 501.43 J/mol×K 676.95 Joback Calculated Property
Cp,gas 516.37 J/mol×K 709.82 Joback Calculated Property
Cp,gas 530.40 J/mol×K 742.69 Joback Calculated Property
η [0.0007154; 0.0023408] Pa×s [295.45; 545.46] Show Hide
η 0.0023408 Pa×s 295.45 Joback Calculated Property
η 0.0017004 Pa×s 337.12 Joback Calculated Property
η 0.0013252 Pa×s 378.79 Joback Calculated Property
η 0.0010850 Pa×s 420.46 Joback Calculated Property
η 0.0009211 Pa×s 462.12 Joback Calculated Property
η 0.0008033 Pa×s 503.79 Joback Calculated Property
η 0.0007154 Pa×s 545.46 Joback Calculated Property

Similar Compounds

(3S,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. (3R,3aS,6R,7[a]R)-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 decyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl isohexyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl pentyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl nonyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl heptyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl undecyl ester. 1,2-Cyclohexanedicarboxylic acid, 2-adamantyl hexyl ester.

Find more compounds similar to Hexahydro-3-butylphthalide.

Sources

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