Chemical Properties of (+)-(1R,5S,6S,7S)-allo-aromadendra-4(15),10(14)-diene

InChI

InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h11-14H,1-2,5-8H2,3-4H3/t11-,12-,13-,14-/m1/s1

InChI Key

JNXBLAGJPYZBMG-AAVRWANBSA-N

Formula

C15H22

SMILES

C=C1CCC2C(C3C(=C)CCC13)C2(C)C

Molecular Weight¹

202.34

• 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	0.3177		Relay (... Calculated Property
ΔfG°	318.72	kJ/mol	Joback Calculated Property
ΔfH°gas	61.27	kJ/mol	Relay (... Calculated Property
ΔfusH°	18.34	kJ/mol	Joback Calculated Property
ΔvapH°	66.05	kJ/mol	Relay (... Calculated Property
IE	8.65	eV	Relay (... Calculated Property
log10WS	-5.48		Relay (... Calculated Property
logPoct/wat	4.191		Crippen Calculated Property
McVol	181.030	ml/mol	McGowan Calculated Property
Pc	2064.24	kPa	Joback Calculated Property
Inp	[1457.00; 1457.00]
Inp	1457.00		NIST
Inp	1457.00		NIST
Tboil	537.43	K	Relay (... Calculated Property
Tc	768.68	K	Relay (... Calculated Property
Tfus	316.78	K	Relay (... Calculated Property
Vc	0.618	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[482.79; 597.27]	J/mol×K	[560.58; 777.89]
Cp,gas	482.79	J/mol×K	560.58	Joback Calculated Property
Cp,gas	504.87	J/mol×K	596.80	Joback Calculated Property
Cp,gas	525.53	J/mol×K	633.02	Joback Calculated Property
Cp,gas	544.93	J/mol×K	669.23	Joback Calculated Property
Cp,gas	563.24	J/mol×K	705.45	Joback Calculated Property
Cp,gas	580.63	J/mol×K	741.67	Joback Calculated Property
Cp,gas	597.27	J/mol×K	777.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to (+)-(1R,5S,6S,7S)-allo-aromadendra-4(15),10(14)-diene.

Sources

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

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