Chemical Properties of Chamazulene (CAS 529-05-5)

InChI

InChI=1S/C14H16/c1-4-12-7-5-10(2)13-8-6-11(3)14(13)9-12/h5-9H,4H2,1-3H3

InChI Key

GXGJIOMUZAGVEH-UHFFFAOYSA-N

Formula

C14H16

SMILES

CCc1ccc(C)c2ccc(C)c-2c1

Molecular Weight¹

184.28

CAS

529-05-5

Other Names

• Azulene, 7-ethyl-1,4-dimethyl-
• Ba 2784
• Camazulene
• Chamazulen
• Dimethulene
• 1,4-Dimethyl-7-ethylazulene
• 7-Ethyl-1,4-dimethylazulene
• Azulene, 1,4-dimethyl-7-ethyl-
• Dimethulen

• 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.
• I : 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
ΔfG°	257.17	kJ/mol	Joback Calculated Property
ΔfH°gas	60.90	kJ/mol	Joback Calculated Property
ΔfusH°	21.91	kJ/mol	Joback Calculated Property
ΔvapH°	52.66	kJ/mol	Joback Calculated Property
log10WS	-5.24		Crippen Calculated Property
logPoct/wat	3.971		Crippen Calculated Property
McVol	164.900	ml/mol	McGowan Calculated Property
Pc	2424.27	kPa	Joback Calculated Property
Inp	[1669.00; 1749.00]
Inp	1741.00		NIST
Inp	1716.00		NIST
Inp	1728.00		NIST
Inp	1714.00		NIST
Inp	1734.00		NIST
Inp	1735.00		NIST
Inp	1739.00		NIST
Inp	1725.00		NIST
Inp	1722.00		NIST
Inp	1742.00		NIST
Inp	1725.00		NIST
Inp	1735.00		NIST
Inp	1725.00		NIST
Inp	1732.00		NIST
Inp	1707.00		NIST
Inp	1719.00		NIST
Inp	1699.00		NIST
Inp	1734.00		NIST
Inp	1711.00		NIST
Inp	1700.00		NIST
Inp	1715.00		NIST
Inp	1749.00		NIST
Inp	1718.00		NIST
Inp	1722.00		NIST
Inp	1706.00		NIST
Inp	1732.00		NIST
Inp	1710.00		NIST
Inp	1715.00		NIST
Inp	1733.00		NIST
Inp	1708.00		NIST
Inp	1700.00		NIST
Inp	1715.00		NIST
Inp	1715.00		NIST
Inp	1702.00		NIST
Inp	Outlier 1669.00		NIST
Inp	Outlier 1674.00		NIST
Inp	Outlier 1674.00		NIST
Inp	Outlier 1674.00		NIST
Inp	1714.00		NIST
Inp	1730.00		NIST
Inp	1715.00		NIST
Inp	1732.00		NIST
Inp	1725.00		NIST
Inp	1705.00		NIST
Inp	1725.00		NIST
Inp	1725.00		NIST
Inp	1712.00		NIST
I	[2360.00; 2396.00]
I	2396.00		NIST
I	2380.00		NIST
I	2370.00		NIST
I	2370.00		NIST
I	2360.00		NIST
Tboil	580.32	K	Joback Calculated Property
Tc	804.38	K	Joback Calculated Property
Tfus	344.22	K	Joback Calculated Property
Vc	0.633	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[389.57; 472.20]	J/mol×K	[580.32; 804.38]
Cp,gas	389.57	J/mol×K	580.32	Joback Calculated Property
Cp,gas	405.64	J/mol×K	617.66	Joback Calculated Property
Cp,gas	420.71	J/mol×K	655.01	Joback Calculated Property
Cp,gas	434.85	J/mol×K	692.35	Joback Calculated Property
Cp,gas	448.10	J/mol×K	729.69	Joback Calculated Property
Cp,gas	460.53	J/mol×K	767.04	Joback Calculated Property
Cp,gas	472.20	J/mol×K	804.38	Joback Calculated Property
η	[0.0002732; 0.0011430]	Pa×s	[344.22; 580.32]
η	0.0011430	Pa×s	344.22	Joback Calculated Property
η	0.0007967	Pa×s	383.57	Joback Calculated Property
η	0.0005940	Pa×s	422.92	Joback Calculated Property
η	0.0004655	Pa×s	462.27	Joback Calculated Property
η	0.0003791	Pa×s	501.62	Joback Calculated Property
η	0.0003180	Pa×s	540.97	Joback Calculated Property
η	0.0002732	Pa×s	580.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Chamazulene.

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.