Chemical Properties of Cascarilladiene

InChI

InChI=1S/C15H24/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h7,10-12H,5-6,8-9H2,1-4H3/t12-,15+/m0/s1

InChI Key

OEJAHQZWKNWZRZ-SWLSCSKDSA-N

Formula

C15H24

SMILES

CC(C)C1=CCC2(C)CCCC(C)C2=C1

Molecular Weight¹

204.35

Other Names

• Eudesma-5,7-diene

• 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).
• 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
ΔfG°	181.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-129.39	kJ/mol	Joback Calculated Property
ΔfusH°	14.32	kJ/mol	Joback Calculated Property
ΔvapH°	49.87	kJ/mol	Joback Calculated Property
log10WS	-4.87		Crippen Calculated Property
logPoct/wat	4.725		Crippen Calculated Property
McVol	191.890	ml/mol	McGowan Calculated Property
Pc	2060.49	kPa	Joback Calculated Property
Inp	[1413.00; 1420.00]
Inp	1420.00		NIST
Inp	1413.00		NIST
Inp	1413.00		NIST
Tboil	581.24	K	Joback Calculated Property
Tc	805.31	K	Joback Calculated Property
Tfus	316.07	K	Joback Calculated Property
Vc	0.722	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[501.03; 616.73]	J/mol×K	[581.24; 805.31]
Cp,gas	501.03	J/mol×K	581.24	Joback Calculated Property
Cp,gas	523.21	J/mol×K	618.59	Joback Calculated Property
Cp,gas	544.03	J/mol×K	655.93	Joback Calculated Property
Cp,gas	563.63	J/mol×K	693.28	Joback Calculated Property
Cp,gas	582.18	J/mol×K	730.62	Joback Calculated Property
Cp,gas	599.82	J/mol×K	767.97	Joback Calculated Property
Cp,gas	616.73	J/mol×K	805.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cascarilladiene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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