Chemical Properties of Eudesmol (CAS 51317-08-9)

InChI

InChI=1S/C15H24O/c1-11-6-5-8-15(4)9-7-12(10-13(11)15)14(2,3)16/h5-7,9,11-13,16H,8,10H2,1-4H3/t11?,12-,13?,15-/m0/s1

InChI Key

IGDPRNLDNSDIJI-GWIFJHRUSA-N

Formula

C15H24O

SMILES

CC1C=CCC2(C)C=CC(C(C)(C)O)CC12

Molecular Weight¹

220.35

CAS

51317-08-9

Other Names

• 2-Naphthalenemethanol, decahydro-«alpha»,«alpha»,4a,8-tetramethyl-, didehydro deriv., [2R-(2«alpha»,4a«alpha»,8a«beta»)]-

• 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 : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	17.44	kJ/mol	Joback Calculated Property
logPoct/wat	3.552		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Inp	[1596.00; 1655.00]
Inp	1652.00		NIST
Inp	1644.00		NIST
Inp	1644.00		NIST
Inp	1619.00		NIST
Inp	1654.00		NIST
Inp	Outlier 1596.00		NIST
Inp	1655.00		NIST
Inp	Outlier 1602.00		NIST
Inp	1646.00		NIST
Inp	1630.00		NIST
Inp	Outlier 1600.00		NIST
Inp	1644.00		NIST
Inp	1644.00		NIST
Inp	1644.00		NIST
Inp	1644.00		NIST
Inp	1636.00		NIST
Inp	1644.00		NIST
Inp	1636.00		NIST
Inp	1647.00		NIST
Inp	1650.00		NIST
Inp	1614.00		NIST
Inp	1622.00		NIST
Inp	1649.00		NIST
Inp	1650.00		NIST
Inp	1644.00		NIST
Inp	1652.00		NIST
I	[2203.00; 2266.00]
I	2266.00		NIST
I	2203.00		NIST
I	2240.00		NIST
I	2266.00		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	[255.93; 737.97]	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			-1.73450e+02
Coefficient B			1.97898e+00
Coefficient C			-1.64556e-03
Coefficient D			5.78000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	255.93	J/mol×K	273.00	Calculated Property
Cp,gas	346.31	J/mol×K	353.78	Calculated Property
Cp,gas	423.21	J/mol×K	434.56	Calculated Property
Cp,gas	488.48	J/mol×K	515.33	Calculated Property
Cp,gas	543.93	J/mol×K	596.11	Calculated Property
Cp,gas	591.40	J/mol×K	676.89	Calculated Property
Cp,gas	632.71	J/mol×K	757.67	Calculated Property
Cp,gas	669.69	J/mol×K	838.44	Calculated Property
Cp,gas	704.17	J/mol×K	919.22	Calculated Property
Cp,gas	737.97	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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