Chemical Properties of Azulene,6-methyl- (CAS 1654-52-0)

InChI

InChI=1S/C11H10/c1-9-5-7-10-3-2-4-11(10)8-6-9/h2-8H,1H3

InChI Key

ZEQVWDSVAGZQEU-UHFFFAOYSA-N

Formula

C11H10

SMILES

Cc1ccc2cccc-2cc1

Molecular Weight¹

142.20

CAS

1654-52-0

Other Names

• 6-Methylazulene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3801		Relay (1.0) Calculated Property
ΔfG°	251.17	kJ/mol	Joback Calculated Property
ΔfH°gas	142.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.92	kJ/mol	Joback Calculated Property
ΔvapH°	59.54	kJ/mol	Relay (1.0) Calculated Property
IE	7.34 ± 0.03	eV	NIST
log10WS	-4.34		Relay (1.0) Calculated Property
logPoct/wat	3.100		Crippen Calculated Property
McVol	122.630	ml/mol	McGowan Calculated Property
Pc	3407.89	kPa	Joback Calculated Property
Inp	[1410.00; 1410.00]
Inp	1410.00		NIST
Inp	1410.00		NIST
Inp	1410.00		NIST
Tboil	521.17	K	Relay (1.0) Calculated Property
Tc	742.82	K	Relay (1.0) Calculated Property
Tfus	329.21	K	Relay (1.0) Calculated Property
Vc	0.469	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[143.13; 374.48]	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			-5.81600e+01
Coefficient B			9.06720e-01
Coefficient C			-6.75480e-04
Coefficient D			2.01400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.13	J/mol×K	273.00	Calculated Property
Cp,gas	186.99	J/mol×K	353.78	Calculated Property
Cp,gas	224.83	J/mol×K	434.56	Calculated Property
Cp,gas	257.28	J/mol×K	515.33	Calculated Property
Cp,gas	284.98	J/mol×K	596.11	Calculated Property
Cp,gas	308.56	J/mol×K	676.89	Calculated Property
Cp,gas	328.66	J/mol×K	757.67	Calculated Property
Cp,gas	345.93	J/mol×K	838.44	Calculated Property
Cp,gas	360.99	J/mol×K	919.22	Calculated Property
Cp,gas	374.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014596; 0.0002908]	Pa×s	[285.37; 515.69]	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			-1.01418e+01
Coefficient B			1.03080e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			285.37
Temperature range, max.			515.69
η	0.0014596	Pa×s	285.37	Calculated Property
η	0.0010842	Pa×s	310.96	Calculated Property
η	0.0008427	Pa×s	336.55	Calculated Property
η	0.0006787	Pa×s	362.14	Calculated Property
η	0.0005624	Pa×s	387.73	Calculated Property
η	0.0004771	Pa×s	413.33	Calculated Property
η	0.0004125	Pa×s	438.92	Calculated Property
η	0.0003624	Pa×s	464.51	Calculated Property
η	0.0003228	Pa×s	490.10	Calculated Property
η	0.0002908	Pa×s	515.69	Calculated Property

Similar Compounds

Find more compounds similar to Azulene,6-methyl-.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.