Chemical Properties of Trichodiene

InChI

InChI=1S/C15H24/c1-12-7-10-14(3,11-8-12)15(4)9-5-6-13(15)2/h7H,2,5-6,8-11H2,1,3-4H3/t14-,15+/m0/s1

InChI Key

YFLSTROSSKYYNK-LSDHHAIUSA-N

Formula

C15H24

SMILES

C=C1CCCC1(C)C1(C)CC=C(C)CC1

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	0.2900		Relay (1.0) Calculated Property
ΔfG°	198.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-69.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.45	kJ/mol	Joback Calculated Property
ΔvapH°	63.45	kJ/mol	Relay (1.0) Calculated Property
IE	8.44	eV	Relay (1.0) Calculated Property
log10WS	-5.09		Relay (1.0) Calculated Property
logPoct/wat	4.869		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	2177.49	kPa	Joback Calculated Property
Inp	[1533.00; 1541.00]
Inp	1541.00		NIST
Inp	1541.00		NIST
Inp	1533.00		NIST
Tboil	536.48	K	Relay (1.0) Calculated Property
Tc	738.54	K	Relay (1.0) Calculated Property
Tfus	315.55	K	Relay (1.0) Calculated Property
Vc	0.658	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[499.46; 620.44]	J/mol×K	[581.21; 816.28]
Cp,gas	499.46	J/mol×K	581.21	Joback Calculated Property
Cp,gas	522.35	J/mol×K	620.39	Joback Calculated Property
Cp,gas	543.78	J/mol×K	659.57	Joback Calculated Property
Cp,gas	564.03	J/mol×K	698.74	Joback Calculated Property
Cp,gas	583.37	J/mol×K	737.92	Joback Calculated Property
Cp,gas	602.08	J/mol×K	777.10	Joback Calculated Property
Cp,gas	620.44	J/mol×K	816.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trichodiene.

Sources

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

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