Chemical Properties of 1-Adamantanol, acetate

InChI

InChI=1S/C12H18O2/c1-8(13)14-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3

InChI Key

ZYLRDAOEBRPIGT-UHFFFAOYSA-N

Formula

C12H18O2

SMILES

CC(=O)OC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

194.27

• 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°	-26.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-328.67	kJ/mol	Joback Calculated Property
ΔfusH°	16.70	kJ/mol	Joback Calculated Property
ΔvapH°	49.91	kJ/mol	Joback Calculated Property
log10WS	-2.78		Crippen Calculated Property
logPoct/wat	2.518		Crippen Calculated Property
McVol	154.800	ml/mol	McGowan Calculated Property
Pc	2778.85	kPa	Joback Calculated Property
Inp	[1458.00; 1458.00]
Inp	1458.00		NIST
Inp	1458.00		NIST
Tboil	570.31	K	Joback Calculated Property
Tc	793.24	K	Joback Calculated Property
Tfus	367.12	K	Joback Calculated Property
Vc	0.592	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[424.27; 523.27]	J/mol×K	[570.31; 793.24]
Cp,gas	424.27	J/mol×K	570.31	Joback Calculated Property
Cp,gas	443.51	J/mol×K	607.47	Joback Calculated Property
Cp,gas	461.41	J/mol×K	644.62	Joback Calculated Property
Cp,gas	478.15	J/mol×K	681.78	Joback Calculated Property
Cp,gas	493.91	J/mol×K	718.93	Joback Calculated Property
Cp,gas	508.89	J/mol×K	756.09	Joback Calculated Property
Cp,gas	523.27	J/mol×K	793.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-Adamantanol, acetate.

Sources

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

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