Chemical Properties of trans-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-SAIIYOCFSA-N

Formula

C12H18O2

SMILES

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

Molecular Weight¹

194.27

Other Names

• (E)-Sabinyl acetate
• Sabinyl acetate, trans

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	15.98	kJ/mol	Joback Calculated Property
logPoct/wat	2.540		Crippen Calculated Property
McVol	161.360	ml/mol	McGowan Calculated Property
Inp	[1264.00; 1323.00]
Inp	1281.00		NIST
Inp	1290.00		NIST
Inp	1290.00		NIST
Inp	1290.00		NIST
Inp	1276.00		NIST
Inp	1278.00		NIST
Inp	1283.00		NIST
Inp	Outlier 1264.00		NIST
Inp	1290.00		NIST
Inp	1291.00		NIST
Inp	1270.00		NIST
Inp	1292.00		NIST
Inp	1291.00		NIST
Inp	1291.00		NIST
Inp	1274.00		NIST
Inp	1278.00		NIST
Inp	1278.00		NIST
Inp	1294.00		NIST
Inp	1272.00		NIST
Inp	1273.00		NIST
Inp	Outlier 1323.00		NIST
Inp	1271.00		NIST
Inp	1292.00		NIST
Inp	1271.00		NIST
Inp	1291.00		NIST
Inp	1291.00		NIST
Inp	1298.00		NIST
Inp	1296.00		NIST
Inp	1275.00		NIST
Inp	1290.00		NIST
Inp	1290.00		NIST
Inp	1282.00		NIST
Inp	1291.00		NIST
Inp	1291.00		NIST
Inp	1291.00		NIST
Inp	1291.00		NIST
Inp	1277.00		NIST
Inp	1291.00		NIST
Inp	1291.00		NIST
Inp	1277.00		NIST
Inp	1274.00		NIST
Inp	1273.00		NIST
Inp	1291.00		NIST
Inp	1290.00		NIST
I	[1609.00; 1667.00]
I	1643.00		NIST
I	1651.00		NIST
I	1657.00		NIST
I	1622.00		NIST
I	1609.00		NIST
I	1667.00		NIST
I	1664.00		NIST
I	1643.00		NIST
I	1622.00		NIST
I	1664.00		NIST
I	1657.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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 trans-Sabinyl acetate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.