Chemical Properties of (+)-«alpha»-phellandrene (CAS 2243-33-6)

InChI

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4-6,8,10H,7H2,1-3H3/t10-/m1/s1

InChI Key

OGLDWXZKYODSOB-SNVBAGLBSA-N

Formula

C10H16

SMILES

CC1=CCC(C(C)C)C=C1

Molecular Weight¹

136.23

CAS

2243-33-6

Other Names

• (S)-2-methyl-5-(1-methylethyl)-1,3-cyclohexadiene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	105.62	kJ/mol	Joback Calculated Property
ΔfH°gas	-96.60	kJ/mol	Joback Calculated Property
ΔfusH°	12.02	kJ/mol	Joback Calculated Property
ΔvapH°	39.14	kJ/mol	Joback Calculated Property
log10WS	-3.13		Crippen Calculated Property
logPoct/wat	3.165		Crippen Calculated Property
McVol	132.300	ml/mol	McGowan Calculated Property
Pc	2746.90	kPa	Joback Calculated Property
Inp	[1006.00; 1006.00]
Inp	1006.00		NIST
Inp	1006.00		NIST
Tboil	450.61	K	Joback Calculated Property
Tc	657.58	K	Joback Calculated Property
Tfus	208.88	K	Joback Calculated Property
Vc	0.494	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[271.83; 362.19]	J/mol×K	[450.61; 657.58]
Cp,gas	271.83	J/mol×K	450.61	Joback Calculated Property
Cp,gas	288.98	J/mol×K	485.11	Joback Calculated Property
Cp,gas	305.27	J/mol×K	519.60	Joback Calculated Property
Cp,gas	320.71	J/mol×K	554.10	Joback Calculated Property
Cp,gas	335.32	J/mol×K	588.59	Joback Calculated Property
Cp,gas	349.14	J/mol×K	623.09	Joback Calculated Property
Cp,gas	362.19	J/mol×K	657.58	Joback Calculated Property
η	[0.0002251; 0.0045582]	Pa×s	[208.88; 450.61]
η	0.0045582	Pa×s	208.88	Joback Calculated Property
η	0.0018408	Pa×s	249.17	Joback Calculated Property
η	0.0009568	Pa×s	289.46	Joback Calculated Property
η	0.0005836	Pa×s	329.75	Joback Calculated Property
η	0.0003964	Pa×s	370.03	Joback Calculated Property
η	0.0002905	Pa×s	410.32	Joback Calculated Property
η	0.0002251	Pa×s	450.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to (+)-«alpha»-phellandrene.

Sources

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

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