Chemical Properties of 5-Hydroxycalamenene (CAS 95908-33-1)

InChI

InChI=1S/C15H22O/c1-9(2)12-6-5-11(4)15-13(12)7-10(3)8-14(15)16/h7-9,11-12,16H,5-6H2,1-4H3/t11-,12+/m1/s1

InChI Key

FDMKIGKOMRSCAW-NEPJUHHUSA-N

Formula

C15H22O

SMILES

Cc1cc(O)c2c(c1)C(C(C)C)CCC2C

Molecular Weight¹

218.33

CAS

95908-33-1

• 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°	27.24	kJ/mol	Joback Calculated Property
logPoct/wat	4.338		Crippen Calculated Property
McVol	193.460	ml/mol	McGowan Calculated Property
Inp	[2068.00; 2068.00]
Inp	2068.00		NIST
Inp	2068.00		NIST
I	[2325.00; 2325.00]
I	2325.00		NIST
I	2325.00		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	[262.04; 679.72]	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			-7.60800e+01
Coefficient B			1.50628e+00
Coefficient C			-1.06728e-03
Coefficient D			3.16800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	262.04	J/mol×K	273.00	Calculated Property
Cp,gas	337.26	J/mol×K	353.78	Calculated Property
Cp,gas	402.94	J/mol×K	434.56	Calculated Property
Cp,gas	460.08	J/mol×K	515.33	Calculated Property
Cp,gas	509.68	J/mol×K	596.11	Calculated Property
Cp,gas	552.75	J/mol×K	676.89	Calculated Property
Cp,gas	590.29	J/mol×K	757.67	Calculated Property
Cp,gas	623.29	J/mol×K	838.44	Calculated Property
Cp,gas	652.77	J/mol×K	919.22	Calculated Property
Cp,gas	679.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009983; 0.0000539]	Pa×s	[417.17; 625.61]	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			-1.56689e+01
Coefficient B			3.65418e+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.			417.17
Temperature range, max.			625.61
η	0.0009983	Pa×s	417.17	Calculated Property
η	0.0006297	Pa×s	440.33	Calculated Property
η	0.0004160	Pa×s	463.49	Calculated Property
η	0.0002858	Pa×s	486.65	Calculated Property
η	0.0002032	Pa×s	509.81	Calculated Property
η	0.0001488	Pa×s	532.97	Calculated Property
η	0.0001119	Pa×s	556.13	Calculated Property
η	0.0000860	Pa×s	579.29	Calculated Property
η	0.0000675	Pa×s	602.45	Calculated Property
η	0.0000539	Pa×s	625.61	Calculated Property

Similar Compounds

Find more compounds similar to 5-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

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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