Chemical Properties of CUMINYL ACETATE

InChI

InChI=1S/C12H16O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4-7,9H,8H2,1-3H3

InChI Key

QBCRVYRADYXNOW-UHFFFAOYSA-N

Formula

C12H16O2

SMILES

CC(=O)OCc1ccc(C(C)C)cc1

Molecular Weight¹

192.26

Other Names

• Cuminyl acetate
• 4-Isopropylbenzyl acetate
• Cuminic alcohol, acetate
• p-Cymen-7-ol acetate
• p-Isopropylbenzyl acetate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• 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
ΔfH°gas	-368.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.33	kJ/mol	Joback Calculated Property
ΔvapH°	69.56	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
logPoct/wat	2.873		Crippen Calculated Property
McVol	163.620	ml/mol	McGowan Calculated Property
Pc	2400.57	kPa	Joback Calculated Property
Inp	[1401.00; 1432.00]
Inp	1432.00		NIST
Inp	1401.00		NIST
Inp	1409.00		NIST
Inp	1409.00		NIST
Inp	1432.00		NIST
I	[1952.00; 1981.00]
I	1981.00		NIST
I	1981.00		NIST
I	1952.00		NIST
I	1981.00		NIST
Tboil	517.40	K	Relay (1.0) Calculated Property
Tc	731.39	K	Relay (1.0) Calculated Property
Tfus	253.75	K	Relay (1.0) Calculated Property
Vc	0.598	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor, 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	[389.19; 470.02]	J/mol×K	[563.60; 772.54]
Cp,gas	389.19	J/mol×K	563.60	Joback Calculated Property
Cp,gas	404.83	J/mol×K	598.42	Joback Calculated Property
Cp,gas	419.58	J/mol×K	633.25	Joback Calculated Property
Cp,gas	433.45	J/mol×K	668.07	Joback Calculated Property
Cp,gas	446.47	J/mol×K	702.89	Joback Calculated Property
Cp,gas	458.65	J/mol×K	737.71	Joback Calculated Property
Cp,gas	470.02	J/mol×K	772.54	Joback Calculated Property
η	[0.0001538; 0.0033111]	Pa×s	[291.27; 563.60]
η	0.0033111	Pa×s	291.27	Joback Calculated Property
η	0.0014063	Pa×s	336.66	Joback Calculated Property
η	0.0007320	Pa×s	382.05	Joback Calculated Property
η	0.0004377	Pa×s	427.43	Joback Calculated Property
η	0.0002889	Pa×s	472.82	Joback Calculated Property
η	0.0002051	Pa×s	518.21	Joback Calculated Property
η	0.0001538	Pa×s	563.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to CUMINYL ACETATE.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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