Chemical Properties of Isospathulenol (CAS 88395-46-4)

Isospathulenol

InChI
InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h11-13,16H,5-8H2,1-4H3
InChI Key
FPRYGNYXOFHMLF-UHFFFAOYSA-N
Formula
C15H24O
SMILES
CC1=C2CCC(C)(O)C2C2C(CC1)C2(C)C
Molecular Weight1
220.35
CAS
88395-46-4
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Physical Properties

Property Value Unit Source
ΔfusH° 18.89 kJ/mol Joback Calculated Property
logPoct/wat 3.530 Crippen Calculated Property
McVol 191.200 ml/mol McGowan Calculated Property
Inp [1619.00; 1667.00]   Show Hide
Inp 1631.00 NIST
Inp 1630.00 NIST
Inp 1639.00 NIST
Inp 1638.00 NIST
Inp 1619.00 NIST
Inp 1638.00 NIST
Inp 1640.00 NIST
Inp 1640.00 NIST
Inp 1639.00 NIST
Inp 1639.00 NIST
Inp 1641.00 NIST
Inp 1637.00 NIST
Inp Outlier 1664.00 NIST
Inp Outlier 1666.00 NIST
Inp 1640.40 NIST
Inp 1630.00 NIST
Inp 1652.00 NIST
Inp 1656.00 NIST
Inp 1634.00 NIST
Inp 1640.00 NIST
Inp 1652.00 NIST
Inp 1633.80 NIST
Inp 1622.00 NIST
Inp 1625.00 NIST
Inp 1633.00 NIST
Inp 1631.00 NIST
Inp 1653.00 NIST
Inp 1638.00 NIST
Inp 1660.00 NIST
Inp Outlier 1667.00 NIST
Inp 1641.00 NIST
Inp 1620.00 NIST
Inp 1628.00 NIST
Inp 1624.00 NIST
Inp 1626.00 NIST
Inp 1636.00 NIST
Inp 1621.00 NIST
Inp 1628.00 NIST
Inp 1630.00 NIST
Inp 1640.00 NIST
Inp 1637.00 NIST
I [2186.00; 2250.00]   Show Hide
I 2206.00 NIST
I 2215.00 NIST
I 2250.00 NIST
I 2234.00 NIST
I 2225.00 NIST
I Outlier 2186.00 NIST
I 2222.00 NIST
I 2228.00 NIST
I 2238.00 NIST
I 2228.00 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [251.38; 745.23] 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-2.18150e+02
Coefficient B2.25218e+00
Coefficient C-2.19800e-03
Coefficient D9.09200e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 251.38 J/mol×K 273.00 Calculated Property
Cp,gas 343.78 J/mol×K 353.78 Calculated Property
Cp,gas 420.09 J/mol×K 434.56 Calculated Property
Cp,gas 483.18 J/mol×K 515.33 Calculated Property
Cp,gas 535.94 J/mol×K 596.11 Calculated Property
Cp,gas 581.22 J/mol×K 676.89 Calculated Property
Cp,gas 621.92 J/mol×K 757.67 Calculated Property
Cp,gas 660.91 J/mol×K 838.44 Calculated Property
Cp,gas 701.05 J/mol×K 919.22 Calculated Property
Cp,gas 745.23 J/mol×K 1000.00 Calculated Property

Similar Compounds

Aromadendr-1(10)-en-4-ol. 1-epi-3,4-Dehydroviridiflorol. 3,4-Dehydroglobulol. (+)-aromadendra-4(15),10(14)-dien-1-ol. (+)-spatulenol. (-)-Spathulenol. 1H-Cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, [1ar-(1a«alpha»,4a«alpha»,7«beta»,7a«beta»,7b«alpha»)]-. Isospathulenol. Spathylenol. 4(15)-Dehydroglobulol. cis-«alpha»-Copaen-8-ol. «alpha»-Copaen-8-ol. Guaia-6,10(14)-diene-4«beta»-ol. Guaia-10(14),6-dien-4-ol. 1«alpha»,5«beta»H-Guaia-6,10(14)-dien-4«beta»-ol.

Find more compounds similar to Isospathulenol.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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