Chemical Properties of 2-propyl-2-adamantanol

2-propyl-2-adamantanol

InChI
InChI=1S/C13H22O/c1-2-3-13(14)11-5-9-4-10(7-11)8-12(13)6-9/h9-12,14H,2-8H2,1H3
InChI Key
SEFJJPZJVPVBQK-UHFFFAOYSA-N
Formula
C13H22O
SMILES
CCCC1(O)C2CC3CC(C2)CC1C3
Molecular Weight1
194.31
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Physical Properties

Property Value Unit Source
ΔfH°gas -310.81 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 21.66 kJ/mol Joback Calculated Property
IE 9.04 eV Relay (1.0) Calculated Property
logPoct/wat 2.974 Crippen Calculated Property
McVol 167.320 ml/mol McGowan Calculated Property
Inp [1526.00; 1572.00]   Show Hide
Inp 1526.00 NIST
Inp 1543.00 NIST
Inp 1556.00 NIST
Inp 1572.00 NIST
Inp 1526.00 NIST
I [2036.00; 2058.00]   Show Hide
I 2036.00 NIST
I 2058.00 NIST
I 2036.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [219.14; 670.32] 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-1.97598e+02
Coefficient B1.95482e+00
Coefficient C-1.74980e-03
Coefficient D6.62900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 219.14 J/mol×K 273.00 Calculated Property
Cp,gas 304.32 J/mol×K 353.78 Calculated Property
Cp,gas 375.85 J/mol×K 434.56 Calculated Property
Cp,gas 435.82 J/mol×K 515.33 Calculated Property
Cp,gas 486.32 J/mol×K 596.11 Calculated Property
Cp,gas 529.47 J/mol×K 676.89 Calculated Property
Cp,gas 567.34 J/mol×K 757.67 Calculated Property
Cp,gas 602.04 J/mol×K 838.44 Calculated Property
Cp,gas 635.67 J/mol×K 919.22 Calculated Property
Cp,gas 670.32 J/mol×K 1000.00 Calculated Property

Similar Compounds

2-butyl-2-adamantanol. 2-isobutyl-2-adamantanol. 2-ethyl-2-adamantanol. 4a(2H)-Naphthalenol, octahydro-, trans-. 1-ethyl-2-methylcyclohexanol. 2-Methyl-2-adamantanol. Cyclohexanemethanol, 4-hydroxy-«alpha»,«alpha»,4-trimethyl-. Terpinol. 10-epi-«alpha»-Muurolol (T-Muurolol). Dihydroterpineol. Diamantan-1-ol. (+/-) - [1S-(1«beta»,4«beta»,4a«beta»,6«alpha»,8a«alpha»)]-1,6-Dimethyl-4-(1-methylethyl)-1,2, 3,4,4a,5,6,7,8,8a-decahydro-1,6-naphthalenediol. 3-ETHYL-4-METHYL-3-HEPTANOL. Tricyclohexylmethanol. endo-2-Methyl-2-norbornanol.

Find more compounds similar to 2-propyl-2-adamantanol.

Sources

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