Chemical Properties of (-)-(5R,6S,7S)-Aromadendra-1(10),3-diene

InChI

InChI=1S/C15H22/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h5,12-14H,6-8H2,1-4H3/t12-,13-,14-/m0/s1

InChI Key

ABTDAARSCHTOMI-IHRRRGAJSA-N

Formula

C15H22

SMILES

CC1=CCC2=C(C)CCC3C(C12)C3(C)C

Molecular Weight¹

202.34

• 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°	251.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-70.80	kJ/mol	Joback Calculated Property
ΔfusH°	20.86	kJ/mol	Joback Calculated Property
ΔvapH°	50.18	kJ/mol	Joback Calculated Property
log10WS	-4.53		Crippen Calculated Property
logPoct/wat	4.335		Crippen Calculated Property
McVol	181.030	ml/mol	McGowan Calculated Property
Pc	2106.13	kPa	Joback Calculated Property
Inp	[1512.00; 1512.00]
Inp	1512.00		NIST
Inp	1512.00		NIST
Tboil	580.19	K	Joback Calculated Property
Tc	801.07	K	Joback Calculated Property
Tfus	364.33	K	Joback Calculated Property
Vc	0.700	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[485.41; 593.92]	J/mol×K	[580.19; 801.07]
Cp,gas	485.41	J/mol×K	580.19	Joback Calculated Property
Cp,gas	506.16	J/mol×K	617.00	Joback Calculated Property
Cp,gas	525.61	J/mol×K	653.82	Joback Calculated Property
Cp,gas	543.92	J/mol×K	690.63	Joback Calculated Property
Cp,gas	561.29	J/mol×K	727.44	Joback Calculated Property
Cp,gas	577.90	J/mol×K	764.26	Joback Calculated Property
Cp,gas	593.92	J/mol×K	801.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to (-)-(5R,6S,7S)-Aromadendra-1(10),3-diene.

Sources

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

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