Chemical Properties of Lactarazulene

InChI

InChI=1S/C15H16/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-9H,1H2,2-4H3

InChI Key

KFLXZUPIDNPCSD-UHFFFAOYSA-N

Formula

C15H16

SMILES

C=C(C)c1ccc(C)c2ccc(C)c-2c1

Molecular Weight¹

196.29

• 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.
• 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	0.5229		Relay (1.0) Calculated Property
ΔfG°	344.88	kJ/mol	Joback Calculated Property
ΔfH°gas	136.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.91	kJ/mol	Joback Calculated Property
ΔvapH°	79.04	kJ/mol	Relay (1.0) Calculated Property
IE	7.52	eV	Relay (1.0) Calculated Property
log10WS	-5.42		Relay (1.0) Calculated Property
logPoct/wat	4.441		Crippen Calculated Property
McVol	174.690	ml/mol	McGowan Calculated Property
Pc	2311.39	kPa	Joback Calculated Property
Inp	[1792.00; 1796.00]
Inp	1796.00		NIST
Inp	1792.00		NIST
Inp	1796.00		NIST
I	2430.00		NIST
Tboil	582.06	K	Relay (1.0) Calculated Property
Tc	809.23	K	Relay (1.0) Calculated Property
Tfus	331.54	K	Relay (1.0) Calculated Property
Vc	0.654	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[417.47; 500.86]	J/mol×K	[599.76; 828.44]
Cp,gas	417.47	J/mol×K	599.76	Joback Calculated Property
Cp,gas	433.79	J/mol×K	637.87	Joback Calculated Property
Cp,gas	449.04	J/mol×K	675.99	Joback Calculated Property
Cp,gas	463.30	J/mol×K	714.10	Joback Calculated Property
Cp,gas	476.64	J/mol×K	752.21	Joback Calculated Property
Cp,gas	489.14	J/mol×K	790.33	Joback Calculated Property
Cp,gas	500.86	J/mol×K	828.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Lactarazulene.

Sources

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

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