Chemical Properties of Aristolochene (CAS 26620-71-3)

InChI

InChI=1S/C15H26/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,11-13H,5-8,10H2,1-4H3/t12-,13-,15+/m0/s1

InChI Key

PLPMJEPVSPLPGC-KCQAQPDRSA-N

Formula

C15H24

SMILES

CC(C)C1CC=C2CCCC(C)C2(C)C1

Molecular Weight¹

204.35

CAS

26620-71-3

• 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	0.3173		Relay (1.0) Calculated Property
ΔfG°	153.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-178.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.56	kJ/mol	Joback Calculated Property
ΔvapH°	64.44	kJ/mol	Relay (1.0) Calculated Property
IE	8.22	eV	Relay (1.0) Calculated Property
log10WS	-5.72		Relay (1.0) Calculated Property
logPoct/wat	4.805		Crippen Calculated Property
McVol	196.190	ml/mol	McGowan Calculated Property
Pc	1963.07	kPa	Joback Calculated Property
Inp	[1479.00; 1494.80]
Inp	1494.80		NIST
Inp	1487.00		NIST
Inp	1479.00		NIST
Inp	1487.00		NIST
Inp	1494.80		NIST
Tboil	532.68	K	Relay (1.0) Calculated Property
Tc	743.10	K	Relay (1.0) Calculated Property
Tfus	299.77	K	Relay (1.0) Calculated Property
Vc	0.681	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.00; 646.76]	J/mol×K	[572.43; 793.31]
Cp,gas	521.00	J/mol×K	572.43	Joback Calculated Property
Cp,gas	545.14	J/mol×K	609.24	Joback Calculated Property
Cp,gas	567.82	J/mol×K	646.06	Joback Calculated Property
Cp,gas	589.17	J/mol×K	682.87	Joback Calculated Property
Cp,gas	609.34	J/mol×K	719.68	Joback Calculated Property
Cp,gas	628.49	J/mol×K	756.50	Joback Calculated Property
Cp,gas	646.76	J/mol×K	793.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Aristolochene.

Sources

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

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