Chemical Properties of «alpha»-Elemol

InChI

InChI=1S/C15H26O/c1-7-15(6)9-8-12(14(4,5)16)10-13(15)11(2)3/h7,12-13,16H,1-2,8-10H2,3-6H3/t12-,13?,15-/m0/s1

InChI Key

GFJIQNADMLPFOW-YOYPFHDYSA-N

Formula

C15H26O

SMILES

C=CC1(C)CCC(C(C)(C)O)CC1C(=C)C

Molecular Weight¹

222.37

• 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°	112.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-243.96	kJ/mol	Joback Calculated Property
ΔfusH°	15.09	kJ/mol	Joback Calculated Property
ΔvapH°	61.77	kJ/mol	Joback Calculated Property
log10WS	-4.35		Crippen Calculated Property
logPoct/wat	3.942		Crippen Calculated Property
McVol	208.620	ml/mol	McGowan Calculated Property
Pc	1933.83	kPa	Joback Calculated Property
Inp	[1531.00; 1551.00]
Inp	1531.00		NIST
Inp	1551.00		NIST
Inp	1546.00		NIST
Inp	1531.00		NIST
Inp	1546.00		NIST
Tboil	635.24	K	Joback Calculated Property
Tc	836.45	K	Joback Calculated Property
Tfus	327.37	K	Joback Calculated Property
Vc	0.775	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[587.75; 690.93]	J/mol×K	[635.24; 836.45]
Cp,gas	587.75	J/mol×K	635.24	Joback Calculated Property
Cp,gas	607.17	J/mol×K	668.78	Joback Calculated Property
Cp,gas	625.55	J/mol×K	702.31	Joback Calculated Property
Cp,gas	642.99	J/mol×K	735.85	Joback Calculated Property
Cp,gas	659.62	J/mol×K	769.38	Joback Calculated Property
Cp,gas	675.56	J/mol×K	802.92	Joback Calculated Property
Cp,gas	690.93	J/mol×K	836.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Elemol.

Sources

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

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