Chemical Properties of Isobornyl thiocyanoacetate (CAS 115-31-1)

InChI

InChI=1S/C13H19NO2S/c1-12(2)9-4-5-13(12,3)10(6-9)16-11(15)7-17-8-14/h9-10H,4-7H2,1-3H3/t9?,10-,13?/m1/s1

InChI Key

IXEVGHXRXDBAOB-RUETXSTFSA-N

Formula

C13H19NO2S

SMILES

CC1(C)C2CCC1(C)C(OC(=O)CSC#N)C2

Molecular Weight¹

253.36

CAS

115-31-1

Other Names

• Acetic acid, thiocyanato-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo-
• Acetic acid, thiocyanato-, isobornyl ester
• Acetic acid, thiocyanato-, isobornyl ester, exo-
• Bornate
• Cidalon
• Isobornyl thiocyanatoacetate
• Terpinyl thiocyanoacetate
• Thanisol
• Thanite
• ENT 92
• Isoborneol, thiocyanatoacetate
• Thiocyanatoacetic acid isobornyl ester
• Acetic acid, thiocyanato-, 1,7,7-trimethylbicyclo(2,2,1)hept-2-yl ester, exo-
• Isobornylester kyseliny thiokyanatooctove
• Acetic acid, 2-thiocyanato-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
• Acetic acid, thiocyanato-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
• NSC 3552
• 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl thiocyanatoacetate

• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[581.17; 686.38]	J/mol×K	[752.88; 993.05]
Cp,gas	581.17	J/mol×K	752.88	Joback Calculated Property
Cp,gas	598.04	J/mol×K	792.91	Joback Calculated Property
Cp,gas	614.78	J/mol×K	832.94	Joback Calculated Property
Cp,gas	631.70	J/mol×K	872.97	Joback Calculated Property
Cp,gas	649.08	J/mol×K	913.00	Joback Calculated Property
Cp,gas	667.21	J/mol×K	953.03	Joback Calculated Property
Cp,gas	686.38	J/mol×K	993.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isobornyl thiocyanoacetate.

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.