Chemical Properties of 5-Bromovaleric acid, 1-adamantylmethyl ester

InChI

InChI=1S/C16H25BrO2/c17-4-2-1-3-15(18)19-11-16-8-12-5-13(9-16)7-14(6-12)10-16/h12-14H,1-11H2

InChI Key

LDMGZPZQMNUSFN-UHFFFAOYSA-N

Formula

C16H25BrO2

SMILES

O=C(CCCCBr)OCC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

329.27

• 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.
• 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	0.7045		Relay (... Calculated Property
ΔfG°	21.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-617.94	kJ/mol	Relay (... Calculated Property
ΔfusH°	32.35	kJ/mol	Joback Calculated Property
ΔvapH°	86.48	kJ/mol	Relay (... Calculated Property
IE	9.35	eV	Relay (... Calculated Property
log10WS	-5.69		Relay (... Calculated Property
logPoct/wat	4.311		Crippen Calculated Property
McVol	228.660	ml/mol	McGowan Calculated Property
Pc	2043.76	kPa	Joback Calculated Property
Inp	[2212.00; 2212.00]
Inp	2212.00		NIST
Inp	2212.00		NIST
Tboil	634.94	K	Relay (... Calculated Property
Tc	869.06	K	Relay (... Calculated Property
Tfus	438.04	K	Relay (... Calculated Property
Vc	0.824	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[684.97; 791.20]	J/mol×K	[727.99; 946.92]
Cp,gas	684.97	J/mol×K	727.99	Joback Calculated Property
Cp,gas	704.03	J/mol×K	764.48	Joback Calculated Property
Cp,gas	722.28	J/mol×K	800.97	Joback Calculated Property
Cp,gas	739.92	J/mol×K	837.45	Joback Calculated Property
Cp,gas	757.15	J/mol×K	873.94	Joback Calculated Property
Cp,gas	774.18	J/mol×K	910.43	Joback Calculated Property
Cp,gas	791.20	J/mol×K	946.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Bromovaleric acid, 1-adamantylmethyl ester.

Sources

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

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