Chemical Properties of fusicoccadiene

InChI

InChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h13-14,17H,6-12H2,1-5H3/t14-,17-,20+/m0/s1

InChI Key

PZSFDLBSQBBRAM-GZRFBZBPSA-N

Formula

C20H32

SMILES

CC1=C2CC3(C)CCC(C(C)C)=C3CCC(C)C2CC1

Molecular Weight¹

272.47

• 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	0.3734		Relay (1.0) Calculated Property
ΔfG°	252.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-93.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.53	kJ/mol	Joback Calculated Property
ΔvapH°	80.19	kJ/mol	Relay (1.0) Calculated Property
IE	7.54	eV	Relay (1.0) Calculated Property
log10WS	-5.93		Relay (1.0) Calculated Property
logPoct/wat	6.286		Crippen Calculated Property
McVol	251.480	ml/mol	McGowan Calculated Property
Pc	1528.27	kPa	Joback Calculated Property
Inp	[1963.00; 1963.00]
Inp	1963.00		NIST
Inp	1963.00		NIST
Tboil	594.88	K	Relay (1.0) Calculated Property
Tc	821.17	K	Relay (1.0) Calculated Property
Tfus	344.65	K	Relay (1.0) Calculated Property
Vc	0.897	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[769.44; 902.44]	J/mol×K	[716.61; 943.77]
Cp,gas	769.44	J/mol×K	716.61	Joback Calculated Property
Cp,gas	793.97	J/mol×K	754.47	Joback Calculated Property
Cp,gas	817.31	J/mol×K	792.33	Joback Calculated Property
Cp,gas	839.64	J/mol×K	830.19	Joback Calculated Property
Cp,gas	861.14	J/mol×K	868.05	Joback Calculated Property
Cp,gas	882.01	J/mol×K	905.91	Joback Calculated Property
Cp,gas	902.44	J/mol×K	943.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to fusicoccadiene.

Sources

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

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