Chemical Properties of Valencen-12-ol

InChI

InChI=1S/C15H24O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h6,12-13,16H,1,4-5,7-10H2,2-3H3/t12-,13-,15+/m0/s1

InChI Key

YXKFKSFIOIGJMR-KCQAQPDRSA-N

Formula

C15H24O

SMILES

C=C(CO)C1CCC2=CCCC(C)C2(C)C1

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_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°	98.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-227.35	kJ/mol	Joback Calculated Property
ΔfusH°	19.58	kJ/mol	Joback Calculated Property
ΔvapH°	65.08	kJ/mol	Joback Calculated Property
log10WS	-4.14		Crippen 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	[1777.00; 1777.00]
Inp	1777.00		NIST
Inp	1777.00		NIST
Inp	1777.00		NIST
Tboil	661.61	K	Joback Calculated Property
Tc	869.92	K	Joback Calculated Property
Tfus	358.65	K	Joback Calculated Property
Vc	0.742	m3/kmol	Joback 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 Valencen-12-ol.

Sources

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

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