Chemical Properties of Sabinyl, 2-methylbutanoate

InChI

InChI=1S/C15H24O2/c1-6-10(4)14(16)17-13-8-15(9(2)3)7-12(15)11(13)5/h9-10,12-13H,5-8H2,1-4H3

InChI Key

HXJZQZHCRQMSRY-UHFFFAOYSA-N

Formula

C15H24O2

SMILES

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

Molecular Weight¹

236.35

• 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	0.4945		Relay (1.0) Calculated Property
ΔfG°	-2.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-419.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.23	kJ/mol	Joback Calculated Property
ΔvapH°	69.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.00	eV	Relay (1.0) Calculated Property
log10WS	-3.80		Relay (1.0) Calculated Property
logPoct/wat	3.567		Crippen Calculated Property
McVol	203.630	ml/mol	McGowan Calculated Property
Pc	1882.17	kPa	Joback Calculated Property
Inp	[1501.10; 1501.10]
Inp	1501.10		NIST
Inp	1501.10		NIST
Tboil	500.55	K	Relay (1.0) Calculated Property
Tc	755.64	K	Relay (1.0) Calculated Property
Tfus	265.16	K	Relay (1.0) Calculated Property
Vc	0.708	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[570.31; 669.29]	J/mol×K	[626.22; 827.69]
Cp,gas	570.31	J/mol×K	626.22	Joback Calculated Property
Cp,gas	588.78	J/mol×K	659.80	Joback Calculated Property
Cp,gas	606.29	J/mol×K	693.38	Joback Calculated Property
Cp,gas	622.97	J/mol×K	726.96	Joback Calculated Property
Cp,gas	638.96	J/mol×K	760.54	Joback Calculated Property
Cp,gas	654.35	J/mol×K	794.11	Joback Calculated Property
Cp,gas	669.29	J/mol×K	827.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sabinyl, 2-methylbutanoate.

Sources

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

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