Chemical Properties of Bornyl hexanoate

InChI

InChI=1S/C16H28O2/c1-5-6-7-8-14(17)18-13-11-12-9-10-16(13,4)15(12,2)3/h12-13H,5-11H2,1-4H3/t12?,13-,16?/m0/s1

InChI Key

FVTTUTDGUCSLMA-UYJPIKCFSA-N

Formula

C16H28O2

SMILES

CCCCCC(=O)OC1CC2CCC1(C)C2(C)C

Molecular Weight¹

252.39

• 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	0.5795		Relay (... Calculated Property
ΔfG°	-67.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-548.08	kJ/mol	Relay (... Calculated Property
ΔfusH°	23.70	kJ/mol	Joback Calculated Property
ΔvapH°	75.14	kJ/mol	Relay (... Calculated Property
IE	8.92	eV	Relay (... Calculated Property
log10WS	-4.36		Relay (... Calculated Property
logPoct/wat	4.325		Crippen Calculated Property
McVol	222.020	ml/mol	McGowan Calculated Property
Pc	1737.56	kPa	Joback Calculated Property
Inp	[1600.00; 1600.00]
Inp	1600.00		NIST
Inp	1600.00		NIST
Inp	1600.00		NIST
Tboil	547.03	K	Relay (... Calculated Property
Tc	793.36	K	Relay (... Calculated Property
Tfus	343.84	K	Relay (... Calculated Property
Vc	0.803	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[647.70; 760.20]	J/mol×K	[650.66; 853.25]
Cp,gas	647.70	J/mol×K	650.66	Joback Calculated Property
Cp,gas	667.95	J/mol×K	684.43	Joback Calculated Property
Cp,gas	687.34	J/mol×K	718.19	Joback Calculated Property
Cp,gas	706.08	J/mol×K	751.96	Joback Calculated Property
Cp,gas	724.33	J/mol×K	785.72	Joback Calculated Property
Cp,gas	742.31	J/mol×K	819.49	Joback Calculated Property
Cp,gas	760.20	J/mol×K	853.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bornyl hexanoate.

Sources

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

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