Chemical Properties of Acenaphthylene-1-carboxaldehyde

InChI

InChI=1S/C13H8O/c14-8-11-7-10-5-1-3-9-4-2-6-12(11)13(9)10/h1-8H

InChI Key

DJGQYTUXTCURSC-UHFFFAOYSA-N

Formula

C13H8O

SMILES

O=CC1=Cc2cccc3cccc1c23

Molecular Weight¹

180.20

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	21.99	kJ/mol	Joback Calculated Property
IE	7.84	eV	Relay (1.0) Calculated Property
logPoct/wat	2.893		Crippen Calculated Property
McVol	137.220	ml/mol	McGowan Calculated Property
Inp	[303.40; 303.40]
Inp	303.40		NIST
Inp	303.40		NIST
Tfus	338.78	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[168.28; 402.36]	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			-6.32600e+01
Coefficient B			1.08320e+00
Coefficient C			-9.52480e-04
Coefficient D			3.34900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	168.28	J/mol×K	273.00	Calculated Property
Cp,gas	215.57	J/mol×K	353.78	Calculated Property
Cp,gas	255.07	J/mol×K	434.56	Calculated Property
Cp,gas	287.83	J/mol×K	515.33	Calculated Property
Cp,gas	314.93	J/mol×K	596.11	Calculated Property
Cp,gas	337.40	J/mol×K	676.89	Calculated Property
Cp,gas	356.33	J/mol×K	757.67	Calculated Property
Cp,gas	372.76	J/mol×K	838.44	Calculated Property
Cp,gas	387.75	J/mol×K	919.22	Calculated Property
Cp,gas	402.36	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019277; 0.0010586]	Pa×s	[401.41; 597.96]	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			-8.07490e+00
Coefficient B			7.31950e+02
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.			401.41
Temperature range, max.			597.96
η	0.0019277	Pa×s	401.41	Calculated Property
η	0.0017546	Pa×s	423.25	Calculated Property
η	0.0016118	Pa×s	445.09	Calculated Property
η	0.0014925	Pa×s	466.93	Calculated Property
η	0.0013915	Pa×s	488.77	Calculated Property
η	0.0013052	Pa×s	510.60	Calculated Property
η	0.0012307	Pa×s	532.44	Calculated Property
η	0.0011658	Pa×s	554.28	Calculated Property
η	0.0011089	Pa×s	576.12	Calculated Property
η	0.0010586	Pa×s	597.96	Calculated Property

Similar Compounds

Find more compounds similar to Acenaphthylene-1-carboxaldehyde.

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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