Chemical Properties of «delta»-Terpineol, acetate (CAS 93836-50-1)

InChI

InChI=1S/C12H20O2/c1-9-5-7-11(8-6-9)12(3,4)14-10(2)13/h11H,1,5-8H2,2-4H3

InChI Key

IWKXKWUCSZHJEK-UHFFFAOYSA-N

Formula

C12H20O2

SMILES

C=C1CCC(C(C)(C)OC(C)=O)CC1

Molecular Weight¹

196.29

CAS

93836-50-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.47	kJ/mol	Joback Calculated Property
logPoct/wat	3.075		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
Inp	[1313.00; 1316.10]
Inp	1316.10		NIST
Inp	1313.00		NIST
Inp	1316.10		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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[233.31; 601.16]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.04000e+01
Coefficient B			1.21946e+00
Coefficient C			-6.94800e-04
Coefficient D			1.26900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	233.31	J/mol×K	273.00	Calculated Property
Cp,gas	299.68	J/mol×K	353.78	Calculated Property
Cp,gas	358.73	J/mol×K	434.56	Calculated Property
Cp,gas	410.88	J/mol×K	515.33	Calculated Property
Cp,gas	456.52	J/mol×K	596.11	Calculated Property
Cp,gas	496.05	J/mol×K	676.89	Calculated Property
Cp,gas	529.88	J/mol×K	757.67	Calculated Property
Cp,gas	558.41	J/mol×K	838.44	Calculated Property
Cp,gas	582.04	J/mol×K	919.22	Calculated Property
Cp,gas	601.16	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050771; 0.0002117]	Pa×s	[290.81; 531.03]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.23064e+01
Coefficient B			2.04247e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			290.81
Temperature range, max.			531.03
η	0.0050771	Pa×s	290.81	Calculated Property
η	0.0028132	Pa×s	317.50	Calculated Property
η	0.0017082	Pa×s	344.19	Calculated Property
η	0.0011145	Pa×s	370.88	Calculated Property
η	0.0007700	Pa×s	397.57	Calculated Property
η	0.0005574	Pa×s	424.26	Calculated Property
η	0.0004192	Pa×s	450.96	Calculated Property
η	0.0003255	Pa×s	477.65	Calculated Property
η	0.0002595	Pa×s	504.34	Calculated Property
η	0.0002117	Pa×s	531.03	Calculated Property

Similar Compounds

Find more compounds similar to «delta»-Terpineol, 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.
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