Chemical Properties of CH3C(O)OCH(CH3)CH2C(CH3)3 (CAS 60388-83-2)

InChI

InChI=1S/C9H18O2/c1-7(11-8(2)10)6-9(3,4)5/h7H,6H2,1-5H3

InChI Key

YNZHMOJBQUFQMY-UHFFFAOYSA-N

Formula

C9H18O2

SMILES

CC(=O)OC(C)CC(C)(C)C

Molecular Weight¹

158.24

CAS

60388-83-2

Other Names

• Acetic acid, 4,4-dimethylpent-2-yl ester

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-589.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	12.50	kJ/mol	Joback Calculated Property
ΔvapH°	52.91	kJ/mol	Relay (1.0) Calculated Property
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	-2.33		Relay (1.0) Calculated Property
logPoct/wat	2.374		Crippen Calculated Property
McVol	145.110	ml/mol	McGowan Calculated Property
Pc	2379.54	kPa	Joback Calculated Property
Inp	[960.00; 960.00]
Inp	960.00		NIST
Inp	960.00		NIST
Tboil	420.07	K	Relay (1.0) Calculated Property
Tc	599.47	K	Relay (1.0) Calculated Property
Tfus	239.67	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[319.61; 399.92]	J/mol×K	[460.07; 645.09]
Cp,gas	319.61	J/mol×K	460.07	Joback Calculated Property
Cp,gas	334.76	J/mol×K	490.91	Joback Calculated Property
Cp,gas	349.18	J/mol×K	521.74	Joback Calculated Property
Cp,gas	362.88	J/mol×K	552.58	Joback Calculated Property
Cp,gas	375.89	J/mol×K	583.42	Joback Calculated Property
Cp,gas	388.23	J/mol×K	614.25	Joback Calculated Property
Cp,gas	399.92	J/mol×K	645.09	Joback Calculated Property
η	[0.0002171; 0.0159328]	Pa×s	[220.94; 460.07]
η	0.0159328	Pa×s	220.94	Joback Calculated Property
η	0.0045059	Pa×s	260.79	Joback Calculated Property
η	0.0017811	Pa×s	300.65	Joback Calculated Property
η	0.0008749	Pa×s	340.50	Joback Calculated Property
η	0.0004988	Pa×s	380.36	Joback Calculated Property
η	0.0003164	Pa×s	420.21	Joback Calculated Property
η	0.0002171	Pa×s	460.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to CH3C(O)OCH(CH3)CH2C(CH3)3.

Sources

• Cheméo Relay (1.0)
• 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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