Chemical Properties of cis-Sabinyl acetate

InChI

InChI=1S/C12H18O2/c1-7(2)12-5-10(12)8(3)11(6-12)14-9(4)13/h7,10-11H,3,5-6H2,1-2,4H3/t10?,11-,12-/m1/s1

InChI Key

PBWRFXQNNGSAQG-PQDIPPBSSA-N

Formula

C12H18O2

SMILES

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

Molecular Weight¹

194.27

Other Names

• (Z)-Sabinyl acetate

• 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.
• I : 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°	-24.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-316.35	kJ/mol	Joback Calculated Property
ΔfusH°	15.98	kJ/mol	Joback Calculated Property
ΔvapH°	49.60	kJ/mol	Joback Calculated Property
log10WS	-2.74		Crippen Calculated Property
logPoct/wat	2.540		Crippen Calculated Property
McVol	161.360	ml/mol	McGowan Calculated Property
Pc	2438.65	kPa	Joback Calculated Property
Inp	[1252.00; 1325.00]
Inp	1252.00		NIST
Inp	1276.00		NIST
Inp	1262.00		NIST
Inp	1325.00		NIST
Inp	1290.00		NIST
Inp	1325.00		NIST
Inp	1301.00		NIST
Inp	1301.00		NIST
Inp	1252.00		NIST
Inp	1301.00		NIST
I	[1652.00; 1700.00]
I	1677.00		NIST
I	1652.00		NIST
I	1700.00		NIST
I	1660.00		NIST
I	1700.00		NIST
Tboil	558.02	K	Joback Calculated Property
Tc	764.52	K	Joback Calculated Property
Tfus	351.38	K	Joback Calculated Property
Vc	0.621	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[417.14; 504.33]	J/mol×K	[558.02; 764.52]
Cp,gas	417.14	J/mol×K	558.02	Joback Calculated Property
Cp,gas	433.79	J/mol×K	592.44	Joback Calculated Property
Cp,gas	449.43	J/mol×K	626.85	Joback Calculated Property
Cp,gas	464.18	J/mol×K	661.27	Joback Calculated Property
Cp,gas	478.16	J/mol×K	695.68	Joback Calculated Property
Cp,gas	491.51	J/mol×K	730.10	Joback Calculated Property
Cp,gas	504.33	J/mol×K	764.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Sabinyl acetate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.