Chemical Properties of Bornyl butyrate (CAS 58479-55-3)

InChI

InChI=1S/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,14-/m1/s1

InChI Key

VIPNQHBVIDJXJE-UHIISALHSA-N

Formula

C14H24O2

SMILES

CCCC(=O)OC1CC2CCC1(C)C2(C)C

Molecular Weight¹

224.34

CAS

58479-55-3

Other Names

• Isobornyl butyrate
• Isobornyl butanoate
• Bornyl butanoate
• exo-bornyl butyrate

• 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.
• 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
ΔfG°	-83.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-447.85	kJ/mol	Joback Calculated Property
ΔfusH°	18.52	kJ/mol	Joback Calculated Property
ΔvapH°	52.99	kJ/mol	Joback Calculated Property
log10WS	-3.72		Crippen Calculated Property
logPoct/wat	3.545		Crippen Calculated Property
McVol	193.840	ml/mol	McGowan Calculated Property
Pc	2053.03	kPa	Joback Calculated Property
Inp	[1463.00; 1475.00]
Inp	1470.00		NIST
Inp	1463.00		NIST
Inp	1475.00		NIST
Inp	1473.00		NIST
I	[1760.00; 1760.00]
I	1760.00		NIST
I	1760.00		NIST
Tboil	604.90	K	Joback Calculated Property
Tc	813.55	K	Joback Calculated Property
Tfus	391.38	K	Joback Calculated Property
Vc	0.744	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[539.99; 645.60]	J/mol×K	[604.90; 813.55]
Cp,gas	539.99	J/mol×K	604.90	Joback Calculated Property
Cp,gas	559.47	J/mol×K	639.68	Joback Calculated Property
Cp,gas	577.93	J/mol×K	674.45	Joback Calculated Property
Cp,gas	595.57	J/mol×K	709.23	Joback Calculated Property
Cp,gas	612.59	J/mol×K	744.00	Joback Calculated Property
Cp,gas	629.20	J/mol×K	778.78	Joback Calculated Property
Cp,gas	645.60	J/mol×K	813.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bornyl butyrate.

Sources

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

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