Chemical Properties of 10-Hydroxycalamenene

InChI

InChI=1S/C15H22O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h5,7-8,10-11,13,16H,4,6,9H2,1-3H3

InChI Key

LXEZVXMZNKFZNA-UHFFFAOYSA-N

Formula

C15H22O

SMILES

CC1CCC(C(C)C)c2cc(CO)ccc21

Molecular Weight¹

218.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	25.54	kJ/mol	Joback Calculated Property
logPoct/wat	3.816		Crippen Calculated Property
McVol	193.460	ml/mol	McGowan Calculated Property
Inp	[1645.00; 1653.00]
Inp	1645.00		NIST
Inp	1653.00		NIST
Inp	1645.00		NIST
I	[2390.00; 2390.00]
I	2390.00		NIST
I	2390.00		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	[257.65; 675.97]	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			-6.18690e+01
Coefficient B			1.38566e+00
Coefficient C			-8.41320e-04
Coefficient D			1.93500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.65	J/mol×K	273.00	Calculated Property
Cp,gas	331.62	J/mol×K	353.78	Calculated Property
Cp,gas	397.28	J/mol×K	434.56	Calculated Property
Cp,gas	455.26	J/mol×K	515.33	Calculated Property
Cp,gas	506.17	J/mol×K	596.11	Calculated Property
Cp,gas	550.61	J/mol×K	676.89	Calculated Property
Cp,gas	589.19	J/mol×K	757.67	Calculated Property
Cp,gas	622.54	J/mol×K	838.44	Calculated Property
Cp,gas	651.27	J/mol×K	919.22	Calculated Property
Cp,gas	675.97	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033634; 0.0001409]	Pa×s	[366.27; 616.82]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.35059e+01
Coefficient B			2.86099e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			366.27
Temperature range, max.			616.82
η	0.0033634	Pa×s	366.27	Calculated Property
η	0.0019371	Pa×s	394.11	Calculated Property
η	0.0011999	Pa×s	421.95	Calculated Property
η	0.0007887	Pa×s	449.79	Calculated Property
η	0.0005444	Pa×s	477.62	Calculated Property
η	0.0003914	Pa×s	505.46	Calculated Property
η	0.0002913	Pa×s	533.30	Calculated Property
η	0.0002232	Pa×s	561.14	Calculated Property
η	0.0001754	Pa×s	588.98	Calculated Property
η	0.0001409	Pa×s	616.82	Calculated Property

Similar Compounds

Find more compounds similar to 10-Hydroxycalamenene.

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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