Chemical Properties of 1«alpha»,7«alpha»,8a«beta»-Azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl)

InChI

InChI=1S/C15H24/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h12-13,15H,1,5-9H2,2-4H3/t12-,13+,15+/m1/s1

InChI Key

YHAJBLWYOIUHHM-IPYPFGDCSA-N

Formula

C15H24

SMILES

C=C(C)C1CCC(C)=C2CCC(C)C2C1

Molecular Weight¹

204.35

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 : 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	0.3162		Relay (1.0) Calculated Property
ΔfG°	230.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-22.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.40	kJ/mol	Joback Calculated Property
ΔvapH°	63.80	kJ/mol	Relay (1.0) Calculated Property
IE	7.95	eV	Relay (1.0) Calculated Property
log10WS	-5.22		Relay (1.0) Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	1927.05	kPa	Joback Calculated Property
I	[1711.00; 1711.00]
I	1711.00		NIST
I	1711.00		NIST
Tboil	554.75	K	Relay (1.0) Calculated Property
Tc	748.05	K	Relay (1.0) Calculated Property
Tfus	277.58	K	Relay (1.0) Calculated Property
Vc	0.662	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.80; 621.88]	J/mol×K	[574.17; 791.30]
Cp,gas	501.80	J/mol×K	574.17	Joback Calculated Property
Cp,gas	525.03	J/mol×K	610.36	Joback Calculated Property
Cp,gas	546.90	J/mol×K	646.55	Joback Calculated Property
Cp,gas	567.47	J/mol×K	682.74	Joback Calculated Property
Cp,gas	586.78	J/mol×K	718.92	Joback Calculated Property
Cp,gas	604.90	J/mol×K	755.11	Joback Calculated Property
Cp,gas	621.88	J/mol×K	791.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1«alpha»,7«alpha»,8a«beta»-Azulene, 1,2,3,5,6,7,8,8a-octahydro-1,4-dimethyl-7-(1-methylethenyl).

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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