Chemical Properties of 10-epi-«alpha»-Muurolol (T-Muurolol)

InChI

InChI=1S/C15H28O/c1-10(2)12-7-8-15(4,16)14-6-5-11(3)9-13(12)14/h10-14,16H,5-9H2,1-4H3/t11?,12-,13?,14?,15-/m0/s1

InChI Key

RYSZDRWMTKGBFI-HONHCDKBSA-N

Formula

C15H28O

SMILES

CC1CCC2C(C1)C(C(C)C)CCC2(C)O

Molecular Weight¹

224.38

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	19.96	kJ/mol	Joback Calculated Property
ΔvapH°	85.04	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.856		Crippen Calculated Property
McVol	206.360	ml/mol	McGowan Calculated Property
Inp	[1638.00; 1639.00]
Inp	1639.00		NIST
Inp	1638.00		NIST
Tboil	558.61	K	Relay (1.0) Calculated Property
Tc	781.31	K	Relay (1.0) Calculated Property
Tfus	332.48	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[272.29; 806.30]	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			-1.60280e+02
Coefficient B			1.94458e+00
Coefficient C			-1.44700e-03
Coefficient D			4.69000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	272.29	J/mol×K	273.00	Calculated Property
Cp,gas	367.33	J/mol×K	353.78	Calculated Property
Cp,gas	449.99	J/mol×K	434.56	Calculated Property
Cp,gas	521.73	J/mol×K	515.33	Calculated Property
Cp,gas	584.06	J/mol×K	596.11	Calculated Property
Cp,gas	638.45	J/mol×K	676.89	Calculated Property
Cp,gas	686.39	J/mol×K	757.67	Calculated Property
Cp,gas	729.35	J/mol×K	838.44	Calculated Property
Cp,gas	768.83	J/mol×K	919.22	Calculated Property
Cp,gas	806.30	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 10-epi-«alpha»-Muurolol (T-Muurolol).

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.
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