Chemical Properties of Propanoic acid, 1,1-dimethylpropyl ester

InChI

InChI=1S/C8H16O2/c1-5-7(9)10-8(3,4)6-2/h5-6H2,1-4H3

InChI Key

RHSLWHLBYFOBAF-UHFFFAOYSA-N

Formula

C8H16O2

SMILES

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

Molecular Weight¹

144.21

Other Names

• 1,1-dimethylpropyl propanoate
• 2-butanol, 2-methyl-, propanoate
• tert-amyl propionate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• P_vap : Vapor 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
ω	0.4506		Relay (1.0) Calculated Property
ΔfG°	-214.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-562.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.85	kJ/mol	Joback Calculated Property
ΔvapH°	46.21	kJ/mol	Relay (1.0) Calculated Property
IE	9.72	eV	Relay (1.0) Calculated Property
log10WS	-1.49		Relay (1.0) Calculated Property
logPoct/wat	2.128		Crippen Calculated Property
McVol	131.020	ml/mol	McGowan Calculated Property
Pc	2709.85	kPa	Joback Calculated Property
Inp	[847.00; 893.00]
Inp	847.00		NIST
Inp	873.00		NIST
Inp	888.00		NIST
Inp	893.00		NIST
Inp	887.00		NIST
Inp	847.00		NIST
I	[1087.00; 1108.00]
I	1108.00		NIST
I	1087.00		NIST
I	1089.00		NIST
I	1108.00		NIST
Tboil	413.57	K	Relay (1.0) Calculated Property
Tc	598.78	K	Relay (1.0) Calculated Property
Tfus	207.43	K	Relay (1.0) Calculated Property
Vc	0.489	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[282.32; 353.92]	J/mol×K	[455.50; 641.54]
Cp,gas	282.32	J/mol×K	455.50	Joback Calculated Property
Cp,gas	295.73	J/mol×K	486.51	Joback Calculated Property
Cp,gas	308.53	J/mol×K	517.51	Joback Calculated Property
Cp,gas	320.73	J/mol×K	548.52	Joback Calculated Property
Cp,gas	332.35	J/mol×K	579.53	Joback Calculated Property
Cp,gas	343.41	J/mol×K	610.54	Joback Calculated Property
Cp,gas	353.92	J/mol×K	641.54	Joback Calculated Property
η	[0.0002582; 0.0046923]	Pa×s	[254.50; 455.50]
η	0.0046923	Pa×s	254.50	Joback Calculated Property
η	0.0021847	Pa×s	288.00	Joback Calculated Property
η	0.0011929	Pa×s	321.50	Joback Calculated Property
η	0.0007301	Pa×s	355.00	Joback Calculated Property
η	0.0004864	Pa×s	388.50	Joback Calculated Property
η	0.0003456	Pa×s	422.00	Joback Calculated Property
η	0.0002582	Pa×s	455.50	Joback Calculated Property
Pvap	[0.11; 1.24]	kPa	[273.90; 310.40]
Pvap	0.11	kPa	273.90	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.12	kPa	274.90	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.14	kPa	276.90	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.17	kPa	278.90	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.19	kPa	281.00	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.22	kPa	283.00	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.27	kPa	286.00	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.33	kPa	289.10	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.41	kPa	292.20	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.50	kPa	295.20	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.60	kPa	298.20	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.72	kPa	301.20	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.85	kPa	304.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.02	kPa	307.40	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.24	kPa	310.40	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters

Similar Compounds

Find more compounds similar to Propanoic acid, 1,1-dimethylpropyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
• Joback Method
• McGowan Method
• NIST Webbook

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