Chemical Properties of Sabinyl propionate (CAS 5281-00-5)

InChI

InChI=1S/C13H20O2/c1-5-12(14)15-11-7-13(8(2)3)6-10(13)9(11)4/h8,10-11H,4-7H2,1-3H3

InChI Key

KIVPUZGKBYRCCO-UHFFFAOYSA-N

Formula

C13H20O2

SMILES

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

Molecular Weight¹

208.30

CAS

5281-00-5

• 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°	-16.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-336.99	kJ/mol	Joback Calculated Property
ΔfusH°	18.57	kJ/mol	Joback Calculated Property
ΔvapH°	51.83	kJ/mol	Joback Calculated Property
log10WS	-3.16		Crippen Calculated Property
logPoct/wat	2.930		Crippen Calculated Property
McVol	175.450	ml/mol	McGowan Calculated Property
Pc	2222.89	kPa	Joback Calculated Property
Inp	[1379.70; 1379.70]
Inp	1379.70		NIST
Inp	1379.70		NIST
Tboil	580.90	K	Joback Calculated Property
Tc	784.27	K	Joback Calculated Property
Tfus	362.65	K	Joback Calculated Property
Vc	0.676	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[466.58; 557.39]	J/mol×K	[580.90; 784.27]
Cp,gas	466.58	J/mol×K	580.90	Joback Calculated Property
Cp,gas	483.76	J/mol×K	614.80	Joback Calculated Property
Cp,gas	499.96	J/mol×K	648.69	Joback Calculated Property
Cp,gas	515.30	J/mol×K	682.59	Joback Calculated Property
Cp,gas	529.90	J/mol×K	716.48	Joback Calculated Property
Cp,gas	543.89	J/mol×K	750.38	Joback Calculated Property
Cp,gas	557.39	J/mol×K	784.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sabinyl propionate.

Sources

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

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