Chemical Properties of Ethanal, citronellyl methyl acetal

InChI

InChI=1S/C13H26O2/c1-11(2)7-6-8-12(3)9-10-15-13(4)14-5/h7,12-13H,6,8-10H2,1-5H3

InChI Key

YSABATHBMSLQLP-UHFFFAOYSA-N

Formula

C13H26O2

SMILES

COC(C)OCCC(C)CCC=C(C)C

Molecular Weight¹

214.34

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.65	kJ/mol	Joback Calculated Property
ΔvapH°	59.90	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.768		Crippen Calculated Property
McVol	201.470	ml/mol	McGowan Calculated Property
Inp	[1374.00; 1374.00]
Inp	1374.00		NIST
Inp	1374.00		NIST
I	[1596.00; 1596.00]
I	1596.00		NIST
I	1596.00		NIST
Tboil	502.02	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[497.09; 592.22]	J/mol×K	[544.84; 720.13]
Cp,gas	497.09	J/mol×K	544.84	Joback Calculated Property
Cp,gas	514.67	J/mol×K	574.06	Joback Calculated Property
Cp,gas	531.54	J/mol×K	603.27	Joback Calculated Property
Cp,gas	547.72	J/mol×K	632.49	Joback Calculated Property
Cp,gas	563.21	J/mol×K	661.70	Joback Calculated Property
Cp,gas	578.05	J/mol×K	690.92	Joback Calculated Property
Cp,gas	592.22	J/mol×K	720.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethanal, citronellyl methyl acetal.

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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