Chemical Properties of Y-Curcumenal

InChI

InChI=1S/C15H20O/c1-12-7-9-15(10-8-12)14(3)6-4-5-13(2)11-16/h4-5,7-11,13-14H,6H2,1-3H3/b5-4+

InChI Key

STQHHYPRNPVXTF-SNAWJCMRSA-N

Formula

C15H20O

SMILES

Cc1ccc(C(C)CC=CC(C)C=O)cc1

Molecular Weight¹

216.32

• 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).
• 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_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.70	kJ/mol	Joback Calculated Property
IE	8.30	eV	Relay (1.0) Calculated Property
logPoct/wat	3.880		Crippen Calculated Property
McVol	195.720	ml/mol	McGowan Calculated Property
Inp	[1742.00; 1742.00]
Inp	1742.00		NIST
Inp	1742.00		NIST
Tboil	555.50	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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[259.26; 632.90]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.64990e+01
Coefficient B			1.29676e+00
Coefficient C			-8.39560e-04
Coefficient D			2.12200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	259.26	J/mol×K	273.00	Calculated Property
Cp,gas	326.58	J/mol×K	353.78	Calculated Property
Cp,gas	385.89	J/mol×K	434.56	Calculated Property
Cp,gas	437.84	J/mol×K	515.33	Calculated Property
Cp,gas	483.13	J/mol×K	596.11	Calculated Property
Cp,gas	522.41	J/mol×K	676.89	Calculated Property
Cp,gas	556.35	J/mol×K	757.67	Calculated Property
Cp,gas	585.64	J/mol×K	838.44	Calculated Property
Cp,gas	610.93	J/mol×K	919.22	Calculated Property
Cp,gas	632.90	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037370; 0.0001725]	Pa×s	[304.67; 586.65]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.19882e+01
Coefficient B			1.94951e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			304.67
Temperature range, max.			586.65
η	0.0037370	Pa×s	304.67	Calculated Property
η	0.0020578	Pa×s	336.00	Calculated Property
η	0.0012545	Pa×s	367.33	Calculated Property
η	0.0008267	Pa×s	398.66	Calculated Property
η	0.0005789	Pa×s	430.00	Calculated Property
η	0.0004255	Pa×s	461.33	Calculated Property
η	0.0003252	Pa×s	492.66	Calculated Property
η	0.0002567	Pa×s	523.99	Calculated Property
η	0.0002081	Pa×s	555.32	Calculated Property
η	0.0001725	Pa×s	586.65	Calculated Property

Similar Compounds

Find more compounds similar to Y-Curcumenal.

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

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