Chemical Properties of ISOCYCLOCITRAL

InChI

InChI=1S/C10H16O/c1-7-4-8(2)9(3)10(5-7)6-11/h4,6,8-10H,5H2,1-3H3

InChI Key

DEMWVPUIZCCHPT-UHFFFAOYSA-N

Formula

C10H16O

SMILES

CC1=CC(C)C(C)C(C=O)C1

Molecular Weight¹

152.24

Other Names

• 3-Cyclohexene-1-carboxaldehyde, 2,4,6-trimethyl-, and 3,5,6-trimethyl-3-cyclohexene-1-carboxaldehyde
• 1-Formyl-3,5,6-trimethyl-3-cyclohexene and 1-formyl-2,4,6-trimethyl-3-cyclohexene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	18.75	kJ/mol	Joback Calculated Property
logPoct/wat	2.424		Crippen Calculated Property
McVol	138.170	ml/mol	McGowan Calculated Property
Inp	[1117.00; 1119.90]
Inp	1119.90		NIST
Inp	1117.00		NIST
Inp	1117.00		NIST
I	1515.00		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	[313.91; 404.74]	J/mol×K	[491.21; 695.98]
Cp,gas	313.91	J/mol×K	491.21	Joback Calculated Property
Cp,gas	331.02	J/mol×K	525.34	Joback Calculated Property
Cp,gas	347.33	J/mol×K	559.47	Joback Calculated Property
Cp,gas	362.84	J/mol×K	593.59	Joback Calculated Property
Cp,gas	377.58	J/mol×K	627.72	Joback Calculated Property
Cp,gas	391.54	J/mol×K	661.85	Joback Calculated Property
Cp,gas	404.74	J/mol×K	695.98	Joback Calculated Property
η	[0.0003370; 0.0018898]	Pa×s	[256.64; 491.21]
η	0.0018898	Pa×s	256.64	Joback Calculated Property
η	0.0011726	Pa×s	295.74	Joback Calculated Property
η	0.0008133	Pa×s	334.83	Joback Calculated Property
η	0.0006090	Pa×s	373.92	Joback Calculated Property
η	0.0004817	Pa×s	413.02	Joback Calculated Property
η	0.0003967	Pa×s	452.12	Joback Calculated Property
η	0.0003370	Pa×s	491.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to ISOCYCLOCITRAL.

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.