Chemical Properties of 1H-Cycloprop[e]azulene, 1a«beta»,2,3,4,4a«beta»,5,6,7b«beta»-octahydro-1,1,4«beta»,7-tetramethyl

InChI

InChI=1S/C15H26/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h9-14H,5-8H2,1-4H3/t9-,10+,11+,12-,13+,14-/m1/s1

InChI Key

UIDUJXXQMGYOIN-GUDWOMEESA-N

Formula

C15H26

SMILES

CC1CCC2C(C3C(C)CCC13)C2(C)C

Molecular Weight¹

206.37

• 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_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	0.3574		Relay (... Calculated Property
ΔfG°	197.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-150.75	kJ/mol	Relay (... Calculated Property
ΔfusH°	22.80	kJ/mol	Joback Calculated Property
ΔvapH°	63.62	kJ/mol	Relay (... Calculated Property
IE	8.64	eV	Relay (... Calculated Property
log10WS	-6.20		Relay (... Calculated Property
logPoct/wat	4.351		Crippen Calculated Property
McVol	189.630	ml/mol	McGowan Calculated Property
Pc	1882.17	kPa	Joback Calculated Property
Inp	[1400.00; 1400.00]
Inp	1400.00		NIST
Inp	1400.00		NIST
Inp	1400.00		NIST
Tboil	521.51	K	Relay (... Calculated Property
Tc	763.28	K	Relay (... Calculated Property
Tfus	293.79	K	Relay (... Calculated Property
Vc	0.681	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[523.56; 656.19]	J/mol×K	[552.92; 766.34]
Cp,gas	523.56	J/mol×K	552.92	Joback Calculated Property
Cp,gas	549.11	J/mol×K	588.49	Joback Calculated Property
Cp,gas	573.07	J/mol×K	624.06	Joback Calculated Property
Cp,gas	595.59	J/mol×K	659.63	Joback Calculated Property
Cp,gas	616.85	J/mol×K	695.20	Joback Calculated Property
Cp,gas	637.00	J/mol×K	730.77	Joback Calculated Property
Cp,gas	656.19	J/mol×K	766.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1H-Cycloprop[e]azulene, 1a«beta»,2,3,4,4a«beta»,5,6,7b«beta»-octahydro-1,1,4«beta»,7-tetramethyl.

Sources

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

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