Chemical Properties of 2-ISOPROPYL-5-METHYLHEXYL ACETATE

InChI

InChI=1S/C12H24O2/c1-9(2)6-7-12(10(3)4)8-14-11(5)13/h9-10,12H,6-8H2,1-5H3

InChI Key

QLFSGYMLVZGFJT-UHFFFAOYSA-N

Formula

C12H24O2

SMILES

CC(=O)OCC(CCC(C)C)C(C)C

Molecular Weight¹

200.32

Other Names

• 2-Isopropyl-5-methylhexyl acetate
• Tetrahydrolavandulyl acetate
• 1-Hexanol, 2-isopropyl-5-methyl-, acetate

• ω : Acentric Factor.
• 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).
• 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

Property	Value	Unit	Source
ω	0.5505		Relay (1.0) Calculated Property
ΔfH°gas	-622.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	20.64	kJ/mol	Joback Calculated Property
ΔvapH°	66.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.36	eV	Relay (1.0) Calculated Property
log10WS	-3.76		Relay (1.0) Calculated Property
logPoct/wat	3.258		Crippen Calculated Property
McVol	187.380	ml/mol	McGowan Calculated Property
Pc	1824.72	kPa	Joback Calculated Property
Inp	[1254.30; 1260.00]
Inp	1254.30		NIST
Inp	1260.00		NIST
Inp	1260.00		NIST
Tboil	497.13	K	Relay (1.0) Calculated Property
Tc	669.42	K	Relay (1.0) Calculated Property
Tfus	215.65	K	Relay (1.0) Calculated Property
Vc	0.667	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[457.63; 549.11]	J/mol×K	[531.06; 707.85]
Cp,gas	457.63	J/mol×K	531.06	Joback Calculated Property
Cp,gas	474.67	J/mol×K	560.53	Joback Calculated Property
Cp,gas	490.98	J/mol×K	589.99	Joback Calculated Property
Cp,gas	506.56	J/mol×K	619.46	Joback Calculated Property
Cp,gas	521.44	J/mol×K	648.92	Joback Calculated Property
Cp,gas	535.62	J/mol×K	678.39	Joback Calculated Property
Cp,gas	549.11	J/mol×K	707.85	Joback Calculated Property
η	[0.0001449; 0.0233447]	Pa×s	[222.33; 531.06]
η	0.0233447	Pa×s	222.33	Joback Calculated Property
η	0.0045153	Pa×s	273.78	Joback Calculated Property
η	0.0014687	Pa×s	325.24	Joback Calculated Property
η	0.0006493	Pa×s	376.69	Joback Calculated Property
η	0.0003493	Pa×s	428.15	Joback Calculated Property
η	0.0002146	Pa×s	479.60	Joback Calculated Property
η	0.0001449	Pa×s	531.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-ISOPROPYL-5-METHYLHEXYL ACETATE.

Sources

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

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