Chemical Properties of Calamenen-9-ol

InChI

InChI=1S/C15H22O/c1-9(2)15-13-7-10(3)5-6-12(13)11(4)8-14(15)16/h5-7,9,11,14-16H,8H2,1-4H3/t11-,14?,15+/m1/s1

InChI Key

HTPALWBCPQXQBN-QTWGFKIWSA-N

Formula

C15H22O

SMILES

Cc1ccc2c(c1)C(C(C)C)C(O)CC2C

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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	26.61	kJ/mol	Joback Calculated Property
IE	8.06	eV	Relay (1.0) Calculated Property
logPoct/wat	3.603		Crippen Calculated Property
McVol	193.460	ml/mol	McGowan Calculated Property
Inp	[1555.00; 1555.00]
Inp	1555.00		NIST
Inp	1555.00		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, 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	[259.92; 682.63]	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			-5.59300e+01
Coefficient B			1.35918e+00
Coefficient C			-7.85920e-04
Coefficient D			1.65300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	259.92	J/mol×K	273.00	Calculated Property
Cp,gas	333.87	J/mol×K	353.78	Calculated Property
Cp,gas	399.86	J/mol×K	434.56	Calculated Property
Cp,gas	458.41	J/mol×K	515.33	Calculated Property
Cp,gas	510.03	J/mol×K	596.11	Calculated Property
Cp,gas	555.26	J/mol×K	676.89	Calculated Property
Cp,gas	594.61	J/mol×K	757.67	Calculated Property
Cp,gas	628.60	J/mol×K	838.44	Calculated Property
Cp,gas	657.77	J/mol×K	919.22	Calculated Property
Cp,gas	682.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031559; 0.0001638]	Pa×s	[362.03; 613.48]	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			-1.29769e+01
Coefficient B			2.61330e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			362.03
Temperature range, max.			613.48
η	0.0031559	Pa×s	362.03	Calculated Property
η	0.0018816	Pa×s	389.97	Calculated Property
η	0.0012021	Pa×s	417.91	Calculated Property
η	0.0008124	Pa×s	445.85	Calculated Property
η	0.0005750	Pa×s	473.79	Calculated Property
η	0.0004229	Pa×s	501.72	Calculated Property
η	0.0003213	Pa×s	529.66	Calculated Property
η	0.0002509	Pa×s	557.60	Calculated Property
η	0.0002007	Pa×s	585.54	Calculated Property
η	0.0001638	Pa×s	613.48	Calculated Property

Similar Compounds

Find more compounds similar to Calamenen-9-ol.

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.
These property values are available through the Cheméo API. A free account gives you an access key.