Chemical Properties of Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, trans- (CAS 5948-04-9)

InChI

InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-9H,1,4-6H2,2-3H3/t8-,9-/m1/s1

InChI Key

AZOCECCLWFDTAP-RKDXNWHRSA-N

Formula

C10H16O

SMILES

C=C(C)C1CCC(C)C(=O)C1

Molecular Weight¹

152.23

CAS

5948-04-9

Other Names

• p-Menth-8-en-2-one, trans-
• trans-Dihydrocarvone
• Carvone, Dihydro-, trans
• p-Menth-8-en-2-one, E-
• 5-Isopropenyl-2-methylcyclohexanone, trans
• Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, (2R,5R)-rel-
• (2R,5R)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one

• 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.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	11.48	kJ/mol	Joback Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
logPoct/wat	2.568		Crippen Calculated Property
McVol	138.170	ml/mol	McGowan Calculated Property
Inp	[1162.00; 1218.00]
Inp	1200.00		NIST
Inp	1207.00		NIST
Inp	1200.00		NIST
Inp	1200.00		NIST
Inp	1205.00		NIST
Inp	Outlier 1167.00		NIST
Inp	1206.00		NIST
Inp	1200.00		NIST
Inp	1192.00		NIST
Inp	1200.00		NIST
Inp	1198.00		NIST
Inp	1199.00		NIST
Inp	1197.00		NIST
Inp	Outlier 1162.00		NIST
Inp	1202.00		NIST
Inp	1201.00		NIST
Inp	1199.00		NIST
Inp	1186.00		NIST
Inp	1199.00		NIST
Inp	1202.30		NIST
Inp	1190.00		NIST
Inp	1201.00		NIST
Inp	1208.00		NIST
Inp	1182.00		NIST
Inp	1205.00		NIST
Inp	1203.00		NIST
Inp	1182.00		NIST
Inp	1203.00		NIST
Inp	1202.00		NIST
Inp	1208.00		NIST
Inp	Outlier 1171.00		NIST
Inp	1200.00		NIST
Inp	1218.00		NIST
Inp	1200.40		NIST
Inp	1200.00		NIST
Inp	1201.00		NIST
Inp	1195.00		NIST
Inp	1213.00		NIST
Inp	1204.00		NIST
Inp	1197.00		NIST
Inp	1202.00		NIST
Inp	1210.00		NIST
Inp	1202.00		NIST
Inp	1199.00		NIST
Inp	1202.00		NIST
Inp	1197.00		NIST
Inp	1197.00		NIST
Inp	Outlier 1164.00		NIST
Inp	1204.00		NIST
Inp	1212.00		NIST
Inp	1201.00		NIST
Inp	1200.00		NIST
Inp	1204.00		NIST
Inp	1201.00		NIST
Inp	1201.00		NIST
Inp	1180.00		NIST
Inp	1200.00		NIST
Inp	1187.00		NIST
Inp	1200.00		NIST
Inp	1200.00		NIST
Inp	1210.00		NIST
Inp	1187.00		NIST
Inp	1202.30		NIST
Inp	1200.00		NIST
Inp	Outlier 1164.00		NIST
Inp	1204.00		NIST
Inp	1187.00		NIST
I	[1600.00; 1650.00]
I	1602.00		NIST
I	1602.00		NIST
I	1616.00		NIST
I	1645.00		NIST
I	1650.00		NIST
I	1600.00		NIST
I	1627.00		NIST
I	1602.00		NIST
I	1645.00		NIST
I	1645.00		NIST
I	1624.00		NIST
I	1627.00		NIST
I	1600.00		NIST
I	1624.00		NIST
I	1610.00		NIST
I	1624.00		NIST
I	1645.00		NIST
I	1624.00		NIST
I	1624.00		NIST
I	1645.00		NIST
I	1633.00		NIST
I	1645.00		NIST
Tboil	486.58	K	Relay (1.0) Calculated Property
Tfus	284.28	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[320.12; 420.42]	J/mol×K	[507.66; 730.07]
Cp,gas	320.12	J/mol×K	507.66	Joback Calculated Property
Cp,gas	339.14	J/mol×K	544.73	Joback Calculated Property
Cp,gas	357.24	J/mol×K	581.80	Joback Calculated Property
Cp,gas	374.42	J/mol×K	618.87	Joback Calculated Property
Cp,gas	390.68	J/mol×K	655.94	Joback Calculated Property
Cp,gas	406.01	J/mol×K	693.01	Joback Calculated Property
Cp,gas	420.42	J/mol×K	730.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexanone, 2-methyl-5-(1-methylethenyl)-, trans-.

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.
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