Chemical Properties of 4,5-Dihydro-«beta»-caryophyllene-14-al

InChI

InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h10,12-14H,1,4-9H2,2-3H3

InChI Key

QRSRVOUYGXKOHE-UHFFFAOYSA-N

Formula

C15H24O

SMILES

C=C1CCCC(C=O)CCC2C1CC2(C)C

Molecular Weight¹

220.35

• 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 : 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°	69.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-264.91	kJ/mol	Joback Calculated Property
ΔfusH°	17.35	kJ/mol	Joback Calculated Property
ΔvapH°	54.78	kJ/mol	Joback Calculated Property
log10WS	-4.06		Crippen Calculated Property
logPoct/wat	3.984		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2064.24	kPa	Joback Calculated Property
I	[2092.00; 2092.00]
I	2092.00		NIST
I	2092.00		NIST
Tboil	616.15	K	Joback Calculated Property
Tc	840.92	K	Joback Calculated Property
Tfus	348.19	K	Joback Calculated Property
Vc	0.747	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[552.16; 672.59]	J/mol×K	[616.15; 840.92]
Cp,gas	552.16	J/mol×K	616.15	Joback Calculated Property
Cp,gas	575.19	J/mol×K	653.61	Joback Calculated Property
Cp,gas	596.86	J/mol×K	691.07	Joback Calculated Property
Cp,gas	617.30	J/mol×K	728.54	Joback Calculated Property
Cp,gas	636.65	J/mol×K	766.00	Joback Calculated Property
Cp,gas	655.04	J/mol×K	803.46	Joback Calculated Property
Cp,gas	672.59	J/mol×K	840.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4,5-Dihydro-«beta»-caryophyllene-14-al.

Sources

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

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