Chemical Properties of Spirovetiva-3,7(11)-dien-12-al

InChI

InChI=1S/C15H22O/c1-11(10-16)14-7-8-15(9-14)12(2)5-4-6-13(15)3/h5,10,13H,4,6-9H2,1-3H3/b14-11-/t13?,15-/m0/s1

InChI Key

ILQFTUSWJWRDEH-UYKTXTBLSA-N

Formula

C15H22O

SMILES

CC1=CCCC(C)C12CCC(=C(C)C=O)C2

Molecular Weight¹

218.33

• 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°	100.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-189.76	kJ/mol	Joback Calculated Property
ΔfusH°	18.31	kJ/mol	Joback Calculated Property
ΔvapH°	56.89	kJ/mol	Joback Calculated Property
log10WS	-4.39		Crippen Calculated Property
logPoct/wat	4.048		Crippen Calculated Property
McVol	193.460	ml/mol	McGowan Calculated Property
Pc	2216.62	kPa	Joback Calculated Property
Inp	[1805.00; 1805.00]
Inp	1805.00		NIST
Inp	1805.00		NIST
Tboil	632.72	K	Joback Calculated Property
Tc	861.77	K	Joback Calculated Property
Tfus	356.19	K	Joback Calculated Property
Vc	0.743	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[527.12; 633.20]	J/mol×K	[632.72; 861.77]
Cp,gas	527.12	J/mol×K	632.72	Joback Calculated Property
Cp,gas	547.19	J/mol×K	670.90	Joback Calculated Property
Cp,gas	566.08	J/mol×K	709.07	Joback Calculated Property
Cp,gas	583.95	J/mol×K	747.25	Joback Calculated Property
Cp,gas	600.97	J/mol×K	785.42	Joback Calculated Property
Cp,gas	617.33	J/mol×K	823.60	Joback Calculated Property
Cp,gas	633.20	J/mol×K	861.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Spirovetiva-3,7(11)-dien-12-al.

Sources

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

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