Chemical Properties of Sabinyl isobutanoate (CAS 5281-01-6)

InChI

InChI=1S/C14H22O2/c1-8(2)13(15)16-12-7-14(9(3)4)6-11(14)10(12)5/h8-9,11-12H,5-7H2,1-4H3

InChI Key

CPSOCOUVTGYNEQ-UHFFFAOYSA-N

Formula

C14H22O2

SMILES

C=C1C(OC(=O)C(C)C)CC2(C(C)C)CC12

Molecular Weight¹

222.32

CAS

5281-01-6

• 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°	-10.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-362.91	kJ/mol	Joback Calculated Property
ΔfusH°	17.64	kJ/mol	Joback Calculated Property
ΔvapH°	53.66	kJ/mol	Joback Calculated Property
log10WS	-3.33		Crippen Calculated Property
logPoct/wat	3.176		Crippen Calculated Property
McVol	189.540	ml/mol	McGowan Calculated Property
Pc	2049.31	kPa	Joback Calculated Property
Inp	[1414.00; 1414.00]
Inp	1414.00		NIST
Inp	1414.00		NIST
Tboil	603.34	K	Joback Calculated Property
Tc	807.74	K	Joback Calculated Property
Tfus	358.92	K	Joback Calculated Property
Vc	0.727	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[517.90; 613.86]	J/mol×K	[603.34; 807.74]
Cp,gas	517.90	J/mol×K	603.34	Joback Calculated Property
Cp,gas	535.95	J/mol×K	637.41	Joback Calculated Property
Cp,gas	553.01	J/mol×K	671.47	Joback Calculated Property
Cp,gas	569.20	J/mol×K	705.54	Joback Calculated Property
Cp,gas	584.66	J/mol×K	739.60	Joback Calculated Property
Cp,gas	599.50	J/mol×K	773.67	Joback Calculated Property
Cp,gas	613.86	J/mol×K	807.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sabinyl isobutanoate.

Sources

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

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