Chemical Properties of 6-hydroxy-Isobornyl Isobutyrate (CAS 107783-32-4)

InChI

InChI=1S/C15H26O2/c1-9(2)13(16)17-12-8-11-7-10(3)15(12,6)14(11,4)5/h9-12H,7-8H2,1-6H3/t10-,11-,12?,15-/m0/s1

InChI Key

GPEHIMRFBMDMNN-JTHFCNIQSA-N

Formula

C15H26O2

SMILES

CC(C)C(=O)OC1CC2CC(C)C1(C)C2(C)C

Molecular Weight¹

238.37

CAS

107783-32-4

• 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°	-85.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-494.11	kJ/mol	Joback Calculated Property
ΔfusH°	18.66	kJ/mol	Joback Calculated Property
ΔvapH°	54.52	kJ/mol	Joback Calculated Property
log10WS	-3.66		Crippen Calculated Property
logPoct/wat	3.646		Crippen Calculated Property
McVol	207.930	ml/mol	McGowan Calculated Property
Pc	1845.16	kPa	Joback Calculated Property
Inp	[1602.00; 1638.00]
Inp	1638.00		NIST
Inp	1602.00		NIST
Tboil	622.67	K	Joback Calculated Property
Tc	832.09	K	Joback Calculated Property
Tfus	383.41	K	Joback Calculated Property
Vc	0.792	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[594.87; 708.41]	J/mol×K	[622.67; 832.09]
Cp,gas	594.87	J/mol×K	622.67	Joback Calculated Property
Cp,gas	615.65	J/mol×K	657.57	Joback Calculated Property
Cp,gas	635.42	J/mol×K	692.48	Joback Calculated Property
Cp,gas	654.38	J/mol×K	727.38	Joback Calculated Property
Cp,gas	672.74	J/mol×K	762.28	Joback Calculated Property
Cp,gas	690.68	J/mol×K	797.19	Joback Calculated Property
Cp,gas	708.41	J/mol×K	832.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-hydroxy-Isobornyl Isobutyrate.

Sources

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

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