Chemical Properties of 4-Terpinenyl acetate (CAS 4821-04-9)

InChI

InChI=1S/C12H20O2/c1-9(2)12(14-11(4)13)7-5-10(3)6-8-12/h5,9H,6-8H2,1-4H3

InChI Key

BFCBRSFYYLSTAA-UHFFFAOYSA-N

Formula

C12H20O2

SMILES

CC(=O)OC1(C(C)C)CC=C(C)CC1

Molecular Weight¹

196.29

CAS

4821-04-9

Other Names

• 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, acetate
• p-Menth-1-en-4-ol, acetate
• Terpinene 4-acetate
• 1-Terpinen-4-ol acetate
• 4-Terpineol acetate
• Terpin-4-yl acetate
• Terpinen-4-ol, acetate
• Terpinen-4-yl acetate
• Terpinene-4-yl acetate
• 1-(Isopropyl)-4-methylcyclohex-3-en-1-yl acetate
• 3-Cyclohexen-1-ol, 4-methyl-1-(1-methylethyl)-, 1-acetate
• Menthyl-1-en-4-ol acetate
• Terpin-1-en-4-yl 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°	-146.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-425.22	kJ/mol	Joback Calculated Property
ΔfusH°	12.47	kJ/mol	Joback Calculated Property
ΔvapH°	51.31	kJ/mol	Joback Calculated Property
log10WS	-3.33		Crippen Calculated Property
logPoct/wat	3.075		Crippen Calculated Property
McVol	172.220	ml/mol	McGowan Calculated Property
Pc	2391.19	kPa	Joback Calculated Property
Inp	[1265.00; 1342.00]
Inp	1265.00		NIST
Inp	1300.00		NIST
Inp	1302.00		NIST
Inp	1332.00		NIST
Inp	1300.00		NIST
Inp	1273.00		NIST
Inp	1331.00		NIST
Inp	1286.00		NIST
Inp	1304.00		NIST
Inp	1300.00		NIST
Inp	1341.00		NIST
Inp	1289.00		NIST
Inp	1301.00		NIST
Inp	1300.00		NIST
Inp	1335.00		NIST
Inp	1325.00		NIST
Inp	1328.00		NIST
Inp	1340.00		NIST
Inp	1274.00		NIST
Inp	1310.00		NIST
Inp	1321.00		NIST
Inp	1301.00		NIST
Inp	1342.00		NIST
Inp	1338.00		NIST
Inp	1282.00		NIST
Inp	1281.00		NIST
Inp	1281.00		NIST
Inp	1270.00		NIST
Inp	1340.00		NIST
Inp	1296.00		NIST
Inp	1282.00		NIST
Inp	1340.00		NIST
Inp	1321.00		NIST
Inp	1290.00		NIST
Inp	1290.00		NIST
Inp	1282.00		NIST
Inp	1332.00		NIST
Inp	1304.00		NIST
I	[1609.00; 1666.00]
I	1640.00		NIST
I	1640.00		NIST
I	1619.00		NIST
I	1666.00		NIST
I	1666.00		NIST
I	1609.00		NIST
I	1630.00		NIST
I	1630.00		NIST
I	1628.00		NIST
I	1628.00		NIST
I	1628.00		NIST
I	1640.00		NIST
I	1666.00		NIST
Tboil	573.74	K	Joback Calculated Property
Tc	788.23	K	Joback Calculated Property
Tfus	326.72	K	Joback Calculated Property
Vc	0.642	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[434.00; 528.89]	J/mol×K	[573.74; 788.23]
Cp,gas	434.00	J/mol×K	573.74	Joback Calculated Property
Cp,gas	451.97	J/mol×K	609.49	Joback Calculated Property
Cp,gas	468.96	J/mol×K	645.24	Joback Calculated Property
Cp,gas	485.04	J/mol×K	680.99	Joback Calculated Property
Cp,gas	500.33	J/mol×K	716.73	Joback Calculated Property
Cp,gas	514.91	J/mol×K	752.48	Joback Calculated Property
Cp,gas	528.89	J/mol×K	788.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Terpinenyl acetate.

Sources

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

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