Chemical Properties of apopinene (CAS 32863-61-9)

InChI

InChI=1S/C9H14/c1-9(2)7-4-3-5-8(9)6-7/h3-4,7-8H,5-6H2,1-2H3

InChI Key

SUEFRHDDZDWKFN-UHFFFAOYSA-N

Formula

C9H14

SMILES

CC1(C)C2C=CCC1C2

Molecular Weight¹

122.21

CAS

32863-61-9

• 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.
• 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°	151.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-36.97	kJ/mol	Joback Calculated Property
ΔfusH°	9.23	kJ/mol	Joback Calculated Property
ΔvapH°	34.46	kJ/mol	Joback Calculated Property
log10WS	-2.51		Crippen Calculated Property
logPoct/wat	2.609		Crippen Calculated Property
McVol	111.650	ml/mol	McGowan Calculated Property
Pc	3269.04	kPa	Joback Calculated Property
Inp	[924.00; 940.00]
Inp	924.00		NIST
Inp	935.00		NIST
Inp	940.00		NIST
Inp	924.00		NIST
I	1060.00		NIST
Tboil	417.80	K	Joback Calculated Property
Tc	628.03	K	Joback Calculated Property
Tfus	243.97	K	Joback Calculated Property
Vc	0.428	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[229.34; 318.32]	J/mol×K	[417.80; 628.03]
Cp,gas	229.34	J/mol×K	417.80	Joback Calculated Property
Cp,gas	247.34	J/mol×K	452.84	Joback Calculated Property
Cp,gas	263.89	J/mol×K	487.88	Joback Calculated Property
Cp,gas	279.13	J/mol×K	522.92	Joback Calculated Property
Cp,gas	293.18	J/mol×K	557.96	Joback Calculated Property
Cp,gas	306.20	J/mol×K	592.99	Joback Calculated Property
Cp,gas	318.32	J/mol×K	628.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to apopinene.

Sources

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

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