Chemical Properties of «beta»-patchoulene isomer

InChI

InChI=1S/C15H24/c1-10-5-6-13-12(10)9-11-7-8-15(13,4)14(11,2)3/h10-11H,5-9H2,1-4H3

InChI Key

CSKINCSXMLCMAR-UHFFFAOYSA-N

Formula

C15H24

SMILES

CC1CCC2=C1CC1CCC2(C)C1(C)C

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_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	0.3175		Relay (1.0) Calculated Property
ΔfG°	225.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-58.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	13.73	kJ/mol	Joback Calculated Property
ΔvapH°	63.37	kJ/mol	Relay (1.0) Calculated Property
IE	7.79	eV	Relay (1.0) Calculated Property
log10WS	-5.02		Relay (1.0) Calculated Property
logPoct/wat	4.559		Crippen Calculated Property
McVol	185.330	ml/mol	McGowan Calculated Property
Pc	2153.30	kPa	Joback Calculated Property
Inp	[1441.00; 1441.00]
Inp	1441.00		NIST
Inp	1441.00		NIST
Tboil	528.67	K	Relay (1.0) Calculated Property
Tc	770.23	K	Relay (1.0) Calculated Property
Tfus	392.63	K	Relay (1.0) Calculated Property
Vc	0.671	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[503.46; 619.93]	J/mol×K	[576.29; 802.89]
Cp,gas	503.46	J/mol×K	576.29	Joback Calculated Property
Cp,gas	525.54	J/mol×K	614.06	Joback Calculated Property
Cp,gas	546.15	J/mol×K	651.82	Joback Calculated Property
Cp,gas	565.60	J/mol×K	689.59	Joback Calculated Property
Cp,gas	584.18	J/mol×K	727.36	Joback Calculated Property
Cp,gas	602.19	J/mol×K	765.12	Joback Calculated Property
Cp,gas	619.93	J/mol×K	802.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-patchoulene isomer.

Sources

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

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