Chemical Properties of 1-Methylacenaphthylene

InChI

InChI=1S/C13H10/c1-9-8-11-6-2-4-10-5-3-7-12(9)13(10)11/h2-8H,1H3

InChI Key

QALUZRZBRMSBPM-UHFFFAOYSA-N

Formula

C13H10

SMILES

CC1=Cc2cccc3cccc1c23

Molecular Weight¹

166.22

Other Names

• Acenaphthylene, 1-methyl

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	248.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.71	kJ/mol	Joback Calculated Property
ΔvapH°	69.87	kJ/mol	Relay (1.0) Calculated Property
IE	7.39	eV	Relay (1.0) Calculated Property
log10WS	-4.59		Relay (1.0) Calculated Property
logPoct/wat	3.714		Crippen Calculated Property
McVol	135.650	ml/mol	McGowan Calculated Property
Inp	[265.24; 266.57]
Inp	266.57		NIST
Inp	265.24		NIST
Inp	266.57		NIST
Tboil	567.28	K	Relay (1.0) Calculated Property
Tfus	301.31	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[163.37; 411.58]	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			-7.46600e+01
Coefficient B			1.10872e+00
Coefficient C			-9.59480e-04
Coefficient D			3.37000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.37	J/mol×K	273.00	Calculated Property
Cp,gas	212.42	J/mol×K	353.78	Calculated Property
Cp,gas	253.61	J/mol×K	434.56	Calculated Property
Cp,gas	288.01	J/mol×K	515.33	Calculated Property
Cp,gas	316.70	J/mol×K	596.11	Calculated Property
Cp,gas	340.72	J/mol×K	676.89	Calculated Property
Cp,gas	361.16	J/mol×K	757.67	Calculated Property
Cp,gas	379.07	J/mol×K	838.44	Calculated Property
Cp,gas	395.52	J/mol×K	919.22	Calculated Property
Cp,gas	411.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012797; 0.0007442]	Pa×s	[359.41; 562.70]	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			-8.16167e+00
Coefficient B			5.39320e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			359.41
Temperature range, max.			562.70
η	0.0012797	Pa×s	359.41	Calculated Property
η	0.0011711	Pa×s	382.00	Calculated Property
η	0.0010823	Pa×s	404.58	Calculated Property
η	0.0010087	Pa×s	427.17	Calculated Property
η	0.0009467	Pa×s	449.76	Calculated Property
η	0.0008939	Pa×s	472.35	Calculated Property
η	0.0008485	Pa×s	494.93	Calculated Property
η	0.0008091	Pa×s	517.52	Calculated Property
η	0.0007746	Pa×s	540.11	Calculated Property
η	0.0007442	Pa×s	562.70	Calculated Property

Similar Compounds

Find more compounds similar to 1-Methylacenaphthylene.

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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