Chemical Properties of «alpha»-Costol (CAS 65018-15-7)

InChI

InChI=1S/C15H24O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h5,13-14,16H,2,4,6-10H2,1,3H3/t13-,14+,15-/m0/s1

InChI Key

MTJCJJFCDOSALI-ZNMIVQPWSA-N

Formula

C15H24O

SMILES

C=C(CO)C1CCC2(C)CCC=C(C)C2C1

Molecular Weight¹

220.35

CAS

65018-15-7

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.5446		Relay (1.0) Calculated Property
ΔfG°	98.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-215.85	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.58	kJ/mol	Joback Calculated Property
ΔvapH°	92.01	kJ/mol	Relay (1.0) Calculated Property
IE	8.32	eV	Relay (1.0) Calculated Property
log10WS	-3.85		Relay (1.0) Calculated Property
logPoct/wat	3.698		Crippen Calculated Property
McVol	197.760	ml/mol	McGowan Calculated Property
Pc	2212.45	kPa	Joback Calculated Property
Inp	[1729.00; 1785.00]
Inp	1778.40		NIST
Inp	1785.00		NIST
Inp	1729.00		NIST
I	[2604.00; 2604.00]
I	2604.00		NIST
I	2604.00		NIST
Tboil	585.02	K	Relay (1.0) Calculated Property
Tc	808.55	K	Relay (1.0) Calculated Property
Tfus	310.50	K	Relay (1.0) Calculated Property
Vc	0.652	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.16; 673.58]	J/mol×K	[661.61; 869.92]
Cp,gas	572.16	J/mol×K	661.61	Joback Calculated Property
Cp,gas	591.06	J/mol×K	696.33	Joback Calculated Property
Cp,gas	608.99	J/mol×K	731.05	Joback Calculated Property
Cp,gas	626.07	J/mol×K	765.76	Joback Calculated Property
Cp,gas	642.44	J/mol×K	800.48	Joback Calculated Property
Cp,gas	658.24	J/mol×K	835.20	Joback Calculated Property
Cp,gas	673.58	J/mol×K	869.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to «alpha»-Costol.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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