Chemical Properties of Sabinol, 3-methylbut-2-enoate

InChI

InChI=1S/C15H22O2/c1-9(2)6-14(16)17-13-8-15(10(3)4)7-12(15)11(13)5/h6,10,12-13H,5,7-8H2,1-4H3

InChI Key

INAONURJJZWGCJ-UHFFFAOYSA-N

Formula

C15H22O2

SMILES

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

Molecular Weight¹

234.33

• 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°	72.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-270.84	kJ/mol	Joback Calculated Property
ΔfusH°	22.65	kJ/mol	Joback Calculated Property
ΔvapH°	56.31	kJ/mol	Joback Calculated Property
log10WS	-3.85		Crippen Calculated Property
logPoct/wat	3.487		Crippen Calculated Property
McVol	199.330	ml/mol	McGowan Calculated Property
Pc	1964.82	kPa	Joback Calculated Property
Inp	[1614.30; 1614.30]
Inp	1614.30		NIST
Inp	1614.30		NIST
Tboil	630.70	K	Joback Calculated Property
Tc	839.57	K	Joback Calculated Property
Tfus	366.15	K	Joback Calculated Property
Vc	0.769	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[548.97; 645.03]	J/mol×K	[630.70; 839.57]
Cp,gas	548.97	J/mol×K	630.70	Joback Calculated Property
Cp,gas	566.88	J/mol×K	665.51	Joback Calculated Property
Cp,gas	583.83	J/mol×K	700.32	Joback Calculated Property
Cp,gas	599.97	J/mol×K	735.13	Joback Calculated Property
Cp,gas	615.45	J/mol×K	769.95	Joback Calculated Property
Cp,gas	630.42	J/mol×K	804.76	Joback Calculated Property
Cp,gas	645.03	J/mol×K	839.57	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sabinol, 3-methylbut-2-enoate.

Sources

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

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