Chemical Properties of Isocalamenediol (CAS 25330-21-6)

InChI

InChI=1S/C15H26O2/c1-10(2)12-7-8-14(4,16)13-6-5-11(3)9-15(12,13)17/h10,12-13,16-17H,3,5-9H2,1-2,4H3

InChI Key

AHNGXHRYFGQWSL-UHFFFAOYSA-N

Formula

C15H26O2

SMILES

C=C1CCC2C(C)(O)CCC(C(C)C)C2(O)C1

Molecular Weight¹

238.37

CAS

25330-21-6

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

Physical Properties

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	[275.10; 793.73]	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			-1.88630e+02
Coefficient B			2.17946e+00
Coefficient C			-1.97300e-03
Coefficient D			7.75900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	275.10	J/mol×K	273.00	Calculated Property
Cp,gas	369.83	J/mol×K	353.78	Calculated Property
Cp,gas	449.56	J/mol×K	434.56	Calculated Property
Cp,gas	516.74	J/mol×K	515.33	Calculated Property
Cp,gas	573.82	J/mol×K	596.11	Calculated Property
Cp,gas	623.27	J/mol×K	676.89	Calculated Property
Cp,gas	667.53	J/mol×K	757.67	Calculated Property
Cp,gas	709.06	J/mol×K	838.44	Calculated Property
Cp,gas	750.31	J/mol×K	919.22	Calculated Property
Cp,gas	793.73	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Isocalamenediol.

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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