Chemical Properties of trans-ascaridole

InChI

InChI=1S/C10H16O2/c1-6(2)10-5-4-9(3)7(11-9)8(10)12-10/h6-8H,4-5H2,1-3H3/t7-,8+,9+,10+/m1/s1

InChI Key

LEZWCCRTFNBOBU-KATARQTJSA-N

Formula

C10H16O2

SMILES

CC(C)C12C=CC(C)(CC1)OO2

Molecular Weight¹

168.23

Other Names

• trans-ascaridol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.79	kJ/mol	Joback Calculated Property
IE	8.36	eV	Relay (1.0) Calculated Property
logPoct/wat	2.452		Crippen Calculated Property
McVol	137.480	ml/mol	McGowan Calculated Property
Inp	[1269.00; 1305.00]
Inp	1305.00		NIST
Inp	Outlier 1269.00		NIST
Inp	1290.00		NIST
Inp	1299.00		NIST
Inp	1300.00		NIST
Inp	1301.00		NIST
Inp	1301.00		NIST
Inp	1305.00		NIST
Tfus	300.20	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[337.22; 424.54]	J/mol×K	[503.32; 731.96]
Cp,gas	337.22	J/mol×K	503.32	Joback Calculated Property
Cp,gas	354.85	J/mol×K	541.43	Joback Calculated Property
Cp,gas	370.88	J/mol×K	579.53	Joback Calculated Property
Cp,gas	385.59	J/mol×K	617.64	Joback Calculated Property
Cp,gas	399.25	J/mol×K	655.74	Joback Calculated Property
Cp,gas	412.14	J/mol×K	693.85	Joback Calculated Property
Cp,gas	424.54	J/mol×K	731.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to trans-ascaridole.

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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.