Chemical Properties of 10-epi-«gamma»-Eudesmol (CAS 15051-81-7)

InChI

InChI=1S/C15H26O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h12,16H,5-10H2,1-4H3

InChI Key

WMOPMQRJLLIEJV-UHFFFAOYSA-N

Formula

C15H26O

SMILES

CC1=C2CC(C(C)(C)O)CCC2(C)CCC1

Molecular Weight¹

222.37

CAS

15051-81-7

Other Names

• epi-10- «gamma»-Eudesmol
• Eudesmol (10-epi- «gamma»)
• «gamma»-Eudesmol, 10-epi-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	13.30	kJ/mol	Joback Calculated Property
logPoct/wat	4.064		Crippen Calculated Property
McVol	202.060	ml/mol	McGowan Calculated Property
Inp	[1579.00; 1632.00]
Inp	1616.00		NIST
Inp	1622.00		NIST
Inp	1619.00		NIST
Inp	1618.00		NIST
Inp	1614.00		NIST
Inp	1613.00		NIST
Inp	1617.00		NIST
Inp	1618.00		NIST
Inp	1617.00		NIST
Inp	1617.00		NIST
Inp	1618.00		NIST
Inp	Outlier 1596.00		NIST
Inp	1617.00		NIST
Inp	1617.00		NIST
Inp	1619.00		NIST
Inp	1612.00		NIST
Inp	1618.00		NIST
Inp	1619.00		NIST
Inp	1619.00		NIST
Inp	1619.00		NIST
Inp	1621.00		NIST
Inp	1618.00		NIST
Inp	1607.00		NIST
Inp	1619.00		NIST
Inp	Outlier 1594.00		NIST
Inp	1624.00		NIST
Inp	1624.00		NIST
Inp	Outlier 1596.00		NIST
Inp	Outlier 1579.00		NIST
Inp	1620.00		NIST
Inp	1619.00		NIST
Inp	1613.00		NIST
Inp	1617.00		NIST
Inp	1632.00		NIST
Inp	1623.00		NIST
Inp	1613.00		NIST
Inp	1620.00		NIST
Inp	1613.00		NIST
Inp	1619.00		NIST
Inp	1613.00		NIST
Inp	1621.00		NIST
Inp	1630.00		NIST
Inp	1625.00		NIST
Inp	1623.00		NIST
Inp	1614.00		NIST
Inp	1610.00		NIST
Inp	1598.00		NIST
Inp	Outlier 1595.00		NIST
Inp	Outlier 1579.00		NIST
Inp	1612.00		NIST
Inp	1616.00		NIST
Inp	1624.00		NIST
Inp	1621.00		NIST
Inp	1627.00		NIST
Inp	1614.00		NIST
Inp	1620.00		NIST
Inp	1632.00		NIST
Inp	1624.00		NIST
Inp	1618.00		NIST
Inp	1618.00		NIST
Inp	1617.00		NIST
Inp	1620.00		NIST
Inp	1623.00		NIST
Inp	1617.00		NIST
Inp	1617.00		NIST
Inp	1618.00		NIST
Inp	1613.00		NIST
Inp	1625.00		NIST
Inp	1621.00		NIST
Inp	1612.00		NIST
Inp	1617.00		NIST
Inp	Outlier 1596.00		NIST
Inp	1615.00		NIST
Inp	1620.00		NIST
Inp	1609.00		NIST
Inp	1616.00		NIST
Inp	1610.00		NIST
Inp	1621.00		NIST
Inp	1617.00		NIST
Inp	1619.00		NIST
Inp	1622.00		NIST
Inp	1618.00		NIST
Inp	1619.00		NIST
Inp	1621.00		NIST
Inp	1619.00		NIST
Inp	1619.00		NIST
Inp	1610.00		NIST
Inp	1613.00		NIST
Inp	1621.00		NIST
Inp	1610.00		NIST
Inp	1620.00		NIST
Inp	1617.00		NIST
Inp	1618.00		NIST
Ip	[2074.00; 2121.00]
Ip	2117.00		NIST
Ip	2105.00		NIST
Ip	2090.00		NIST
Ip	2089.00		NIST
Ip	2091.00		NIST
Ip	2118.00		NIST
Ip	2094.00		NIST
Ip	Outlier 2074.00		NIST
Ip	2094.00		NIST
Ip	2098.00		NIST
Ip	2093.00		NIST
Ip	2110.00		NIST
Ip	2121.00		NIST
Ip	2110.00		NIST
Ip	2121.00		NIST
Ip	2112.00		NIST
Ip	2084.00		NIST
Ip	2119.00		NIST
Ip	2121.00		NIST
Ip	2121.00		NIST
Ip	2105.00		NIST
Ip	2094.00		NIST
Ip	2117.00		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, Enthalpy of vaporization 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[262.98; 749.87]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.64510e+02
Coefficient B			1.96898e+00
Coefficient C			-1.63500e-03
Coefficient D			5.80400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	262.98	J/mol×K	273.00	Calculated Property
Cp,gas	353.14	J/mol×K	353.78	Calculated Property
Cp,gas	430.00	J/mol×K	434.56	Calculated Property
Cp,gas	495.40	J/mol×K	515.33	Calculated Property
Cp,gas	551.17	J/mol×K	596.11	Calculated Property
Cp,gas	599.15	J/mol×K	676.89	Calculated Property
Cp,gas	641.18	J/mol×K	757.67	Calculated Property
Cp,gas	679.08	J/mol×K	838.44	Calculated Property
Cp,gas	714.70	J/mol×K	919.22	Calculated Property
Cp,gas	749.87	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 10-epi-«gamma»-Eudesmol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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