Chemical Properties of 3-n-Propyl-adamantol-1 (CAS 15598-88-6)

InChI

InChI=1S/C13H22O/c1-2-3-12-5-10-4-11(6-12)8-13(14,7-10)9-12/h10-11,14H,2-9H2,1H3

InChI Key

DASJOTIHKLXABK-UHFFFAOYSA-N

Formula

C13H22O

SMILES

CCCC12CC3CC(CC(O)(C3)C1)C2

Molecular Weight¹

194.31

CAS

15598-88-6

Other Names

• 3-propyl-1-adamantanol

• 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	0.5512		Relay (... Calculated Property
ΔfG°	73.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-364.67	kJ/mol	Relay (... Calculated Property
ΔfusH°	14.29	kJ/mol	Joback Calculated Property
ΔvapH°	73.39	kJ/mol	Relay (... Calculated Property
IE	9.01	eV	Relay (... Calculated Property
log10WS	-4.49		Relay (... Calculated Property
logPoct/wat	3.118		Crippen Calculated Property
McVol	167.320	ml/mol	McGowan Calculated Property
Pc	2764.26	kPa	Joback Calculated Property
Inp	[1495.00; 1550.00]
Inp	1495.00		NIST
Inp	1517.00		NIST
Inp	1532.00		NIST
Inp	1550.00		NIST
Inp	1495.00		NIST
Inp	1495.00		NIST
I	[2069.00; 2089.00]
I	2069.00		NIST
I	2089.00		NIST
I	2069.00		NIST
Tboil	547.26	K	Relay (... Calculated Property
Tc	787.05	K	Relay (... Calculated Property
Tfus	387.49	K	Relay (... Calculated Property
Vc	0.623	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[487.39; 581.94]	J/mol×K	[609.32; 815.40]
Cp,gas	487.39	J/mol×K	609.32	Joback Calculated Property
Cp,gas	504.87	J/mol×K	643.67	Joback Calculated Property
Cp,gas	521.34	J/mol×K	678.01	Joback Calculated Property
Cp,gas	537.04	J/mol×K	712.36	Joback Calculated Property
Cp,gas	552.21	J/mol×K	746.70	Joback Calculated Property
Cp,gas	567.10	J/mol×K	781.05	Joback Calculated Property
Cp,gas	581.94	J/mol×K	815.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-n-Propyl-adamantol-1.

Sources

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

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