Chemical Properties of Azulene, 1,4-dimethyl-7-(1-methylethyl)- (CAS 489-84-9)

InChI

InChI=1S/C15H18/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-10H,1-4H3

InChI Key

FWKQNCXZGNBPFD-UHFFFAOYSA-N

Formula

C15H18

SMILES

Cc1ccc(C(C)C)cc2c(C)ccc1-2

Molecular Weight¹

198.30

CAS

489-84-9

Other Names

• Azulene, 7-isopropyl-1,4-dimethyl-
• Azulen-Beris
• Azulol
• Azulon
• Azunol
• Cuteazul
• Eucazulen
• Guaiazulene
• Gurjunazulen
• Kessazulen
• Purazulen
• S-Guaiazulene
• Silazulon
• Uroazulen
• Vetivazulen
• 1,4-Dimethyl-7-isopropylazulene
• 3,8-Dimethyl-5-(2-propyl)azulene
• 7-Isopropyl-1,4-dimethylazulene
• 1,4-Dimethyl-7-(1-methylethyl)azulene
• Azulene, 1,4-dimethyl-7-isopropyl-
• Guajazulene
• Guiazulene
• AZ-8
• AZ-8 beris
• Vaumigan
• NSC 4714
• 1,4-dimethyl-7-(1-methyl)-azulene (azulon)

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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).
• 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_boilr : Boiling point at reduced pressure (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
PAff	983.10	kJ/mol	NIST
BasG	950.60	kJ/mol	NIST
ΔcH°solid	[-8536.20; -8463.80]	kJ/mol
ΔcH°solid	-8536.20 ± 3.80	kJ/mol	NIST
ΔcH°solid	-8463.80 ± 7.50	kJ/mol	NIST
ΔfG°	263.15	kJ/mol	Joback Calculated Property
ΔfH°gas	34.98	kJ/mol	Joback Calculated Property
ΔfusH°	20.98	kJ/mol	Joback Calculated Property
ΔvapH°	54.50	kJ/mol	Joback Calculated Property
log10WS	-5.63		Crippen Calculated Property
logPoct/wat	4.532		Crippen Calculated Property
McVol	178.990	ml/mol	McGowan Calculated Property
Pc	2227.09	kPa	Joback Calculated Property
Inp	[1734.00; 1790.00]
Inp	1772.00		NIST
Inp	1790.00		NIST
Inp	1772.00		NIST
Inp	1778.00		NIST
Inp	Outlier 1734.00		NIST
Inp	1790.00		NIST
Tboil	602.76	K	Joback Calculated Property
Tc	827.42	K	Joback Calculated Property
Tfus	340.49	K	Joback Calculated Property
Vc	0.683	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[439.16; 526.98]	J/mol×K	[602.76; 827.42]
Cp,gas	439.16	J/mol×K	602.76	Joback Calculated Property
Cp,gas	456.26	J/mol×K	640.20	Joback Calculated Property
Cp,gas	472.29	J/mol×K	677.65	Joback Calculated Property
Cp,gas	487.31	J/mol×K	715.09	Joback Calculated Property
Cp,gas	501.39	J/mol×K	752.54	Joback Calculated Property
Cp,gas	514.60	J/mol×K	789.98	Joback Calculated Property
Cp,gas	526.98	J/mol×K	827.42	Joback Calculated Property
η	[0.0002427; 0.0013500]	Pa×s	[340.49; 602.76]
η	0.0013500	Pa×s	340.49	Joback Calculated Property
η	0.0008620	Pa×s	384.20	Joback Calculated Property
η	0.0006032	Pa×s	427.91	Joback Calculated Property
η	0.0004510	Pa×s	471.62	Joback Calculated Property
η	0.0003542	Pa×s	515.34	Joback Calculated Property
η	0.0002889	Pa×s	559.05	Joback Calculated Property
η	0.0002427	Pa×s	602.76	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[426.20; 440.70]	K	[0.90; 1.60]
Tboilr	426.20	K	0.90	NIST
Tboilr	440.70	K	1.60	NIST

Similar Compounds

Find more compounds similar to Azulene, 1,4-dimethyl-7-(1-methylethyl)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.