Chemical Properties of Incensole acetate (CAS 34701-53-6)

InChI

InChI=1S/C21H34O3/c1-15(2)21-11-10-16(3)8-7-9-17(4)14-19(23-18(5)22)20(6,24-21)12-13-21/h9-10,15,19H,7-8,11-14H2,1-6H3/b16-10-,17-9+/t19-,20-,21-/m1/s1

InChI Key

ILTBJIPOZQCQDI-VTMQPUDVSA-N

Formula

C21H34O3

SMILES

CC(=O)OC1CC(C)=CCCC(C)=CCC2(C(C)C)CCC1(C)O2

Molecular Weight¹

334.49

CAS

34701-53-6

• 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

Property	Value	Unit	Source
ΔfusH°	28.58	kJ/mol	Joback Calculated Property
logPoct/wat	5.349		Crippen Calculated Property
McVol	289.740	ml/mol	McGowan Calculated Property
Inp	[2122.00; 2189.00]
Inp	2122.00		NIST
Inp	2189.00		NIST
Inp	2189.00		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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[943.17; 1087.85]	J/mol×K	[816.54; 1050.07]
Cp,gas	943.17	J/mol×K	816.54	Joback Calculated Property
Cp,gas	968.35	J/mol×K	855.46	Joback Calculated Property
Cp,gas	992.79	J/mol×K	894.38	Joback Calculated Property
Cp,gas	1016.73	J/mol×K	933.31	Joback Calculated Property
Cp,gas	1040.40	J/mol×K	972.23	Joback Calculated Property
Cp,gas	1064.03	J/mol×K	1011.15	Joback Calculated Property
Cp,gas	1087.85	J/mol×K	1050.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Incensole acetate.

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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