Chemical Properties of 2H-1-Benzopyran, 3,5,6,8a-tetrahydro-2,5,5,8a-tetramethyl

InChI

InChI=1S/C13H20O/c1-9-7-8-13(3,4)11-6-5-10(2)14-12(9)11/h6-7,10,12H,5,8H2,1-4H3

InChI Key

QSNSTTXTTHZOKR-UHFFFAOYSA-N

Formula

C13H20O

SMILES

CC1=CCC(C)(C)C2=CCC(C)OC12

Molecular Weight¹

192.30

• 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.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.71	kJ/mol	Joback Calculated Property
logPoct/wat	3.466		Crippen Calculated Property
McVol	169.580	ml/mol	McGowan Calculated Property
Inp	[1279.00; 1296.00]
Inp	1279.00		NIST
Inp	1296.00		NIST
Inp	1279.00		NIST
I	1484.00		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	[433.67; 539.45]	J/mol×K	[558.40; 783.53]
Cp,gas	433.67	J/mol×K	558.40	Joback Calculated Property
Cp,gas	454.01	J/mol×K	595.92	Joback Calculated Property
Cp,gas	473.08	J/mol×K	633.44	Joback Calculated Property
Cp,gas	491.02	J/mol×K	670.97	Joback Calculated Property
Cp,gas	507.96	J/mol×K	708.49	Joback Calculated Property
Cp,gas	524.06	J/mol×K	746.01	Joback Calculated Property
Cp,gas	539.45	J/mol×K	783.53	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2H-1-Benzopyran, 3,5,6,8a-tetrahydro-2,5,5,8a-tetramethyl.

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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