Chemical Properties of Amorpha-4,9-dien-14-al

InChI

InChI=1S/C15H22O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h4,8-10,13-15H,5-7H2,1-3H3/t13-,14?,15?/m0/s1

InChI Key

XOJRZWAZKRAFFU-WLYUNCDWSA-N

Formula

C15H22O

SMILES

CC1=CC[C@@H](C(C)C)C2C=C(C=O)CCC12

Molecular Weight¹

218.34

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.98	kJ/mol	Joback Calculated Property
logPoct/wat	3.760		Crippen Calculated Property
McVol	193.460	ml/mol	McGowan Calculated Property
Inp	[1692.00; 1692.00]
Inp	1692.00		NIST
Inp	1692.00		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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[256.25; 689.08]	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			-7.19000e+01
Coefficient B			1.41516e+00
Coefficient C			-8.28280e-04
Coefficient D			1.74100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.25	J/mol×K	273.00	Calculated Property
Cp,gas	332.79	J/mol×K	353.78	Calculated Property
Cp,gas	400.94	J/mol×K	434.56	Calculated Property
Cp,gas	461.24	J/mol×K	515.33	Calculated Property
Cp,gas	514.24	J/mol×K	596.11	Calculated Property
Cp,gas	560.50	J/mol×K	676.89	Calculated Property
Cp,gas	600.56	J/mol×K	757.67	Calculated Property
Cp,gas	634.98	J/mol×K	838.44	Calculated Property
Cp,gas	664.30	J/mol×K	919.22	Calculated Property
Cp,gas	689.08	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025245; 0.0004856]	Pa×s	[329.93; 590.15]	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			-9.71995e+00
Coefficient B			1.23336e+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.			329.93
Temperature range, max.			590.15
η	0.0025245	Pa×s	329.93	Calculated Property
η	0.0018680	Pa×s	358.84	Calculated Property
η	0.0014457	Pa×s	387.76	Calculated Property
η	0.0011593	Pa×s	416.67	Calculated Property
η	0.0009567	Pa×s	445.58	Calculated Property
η	0.0008083	Pa×s	474.50	Calculated Property
η	0.0006962	Pa×s	503.41	Calculated Property
η	0.0006094	Pa×s	532.32	Calculated Property
η	0.0005409	Pa×s	561.23	Calculated Property
η	0.0004856	Pa×s	590.15	Calculated Property

Similar Compounds

Find more compounds similar to Amorpha-4,9-dien-14-al.

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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