Chemical Properties of 2-Butanol, 2-methyl-, acetate (CAS 625-16-1)

InChI

InChI=1S/C7H14O2/c1-5-7(3,4)9-6(2)8/h5H2,1-4H3

InChI Key

JCCIFDCPHCKATH-UHFFFAOYSA-N

Formula

C7H14O2

SMILES

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

Molecular Weight¹

130.18

CAS

625-16-1

Other Names

• 1,1-Dimethylpropyl acetate
• 1,1-dimethylpropyl ethanoate
• 2-methyl-2-butyl acetate
• Acetic acid, 1,1-dimethylpropyl ester
• CH3C(O)OC(CH3)2CH2CH3
• ethanoic acid, 1,1-dimethylpropyl ester
• tert-Amyl acetate
• tert-Amyl ethanoate
• tert-Pentyl Acetate
• tert-Pentyl Alcohol, acetate

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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	0.4023		Relay (1.0) Calculated Property
ΔcH°liquid	-4173.60 ± 1.50	kJ/mol	NIST
ΔfG°	-223.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-539.00 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-581.80 ± 1.50	kJ/mol	NIST
ΔfusH°	9.26	kJ/mol	Joback Calculated Property
ΔvapH°	[40.30; 42.80]	kJ/mol
ΔvapH°	40.30	kJ/mol	NIST
ΔvapH°	42.80 ± 0.34	kJ/mol	NIST
ΔvapH°	42.80	kJ/mol	NIST
ΔvapH°	42.80 ± 0.30	kJ/mol	NIST
IE	9.76	eV	Relay (1.0) Calculated Property
log10WS	-1.26		Relay (1.0) Calculated Property
logPoct/wat	1.738		Crippen Calculated Property
McVol	116.930	ml/mol	McGowan Calculated Property
Pc	3002.44	kPa	Joback Calculated Property
Inp	[753.00; 793.00]
Inp	753.00		NIST
Inp	764.00		NIST
Inp	793.00		NIST
Inp	793.00		NIST
I	[917.00; 1003.00]
I	917.00		NIST
I	1003.00		NIST
I	1003.00		NIST
Tboil	[393.15; 397.65]	K
Tboil	396.65 ± 0.60	K	NIST
Tboil	393.15 ± 1.00	K	NIST
Tboil	397.65 ± 1.00	K	NIST
Tc	578.52	K	Relay (1.0) Calculated Property
Tfus	205.83	K	Relay (1.0) Calculated Property
Vc	0.433	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.05; 306.89]	J/mol×K	[432.62; 620.42]
Cp,gas	241.05	J/mol×K	432.62	Joback Calculated Property
Cp,gas	253.38	J/mol×K	463.92	Joback Calculated Property
Cp,gas	265.15	J/mol×K	495.22	Joback Calculated Property
Cp,gas	276.37	J/mol×K	526.52	Joback Calculated Property
Cp,gas	287.06	J/mol×K	557.82	Joback Calculated Property
Cp,gas	297.22	J/mol×K	589.12	Joback Calculated Property
Cp,gas	306.89	J/mol×K	620.42	Joback Calculated Property
η	[0.0002778; 0.0047587]	Pa×s	[243.23; 432.62]
η	0.0047587	Pa×s	243.23	Joback Calculated Property
η	0.0022582	Pa×s	274.80	Joback Calculated Property
η	0.0012495	Pa×s	306.36	Joback Calculated Property
η	0.0007722	Pa×s	337.93	Joback Calculated Property
η	0.0005181	Pa×s	369.49	Joback Calculated Property
η	0.0003702	Pa×s	401.06	Joback Calculated Property
η	0.0002778	Pa×s	432.62	Joback Calculated Property
ΔvapH	42.80	kJ/mol	209.00	NIST
Pvap	[0.39; 2.99]	kPa	[273.70; 308.40]
Pvap	0.39	kPa	273.70	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.40	kPa	274.00	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.44	kPa	275.50	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.51	kPa	277.50	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.52	kPa	278.60	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.57	kPa	279.50	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.64	kPa	281.60	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.72	kPa	283.50	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.74	kPa	283.60	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.88	kPa	286.60	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.95	kPa	288.40	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.05	kPa	289.70	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.22	kPa	292.70	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.34	kPa	293.50	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.49	kPa	295.80	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.70	kPa	298.40	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	1.79	kPa	298.80	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	2.08	kPa	301.90	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	2.33	kPa	303.40	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	2.42	kPa	304.90	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	2.83	kPa	307.90	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	2.99	kPa	308.40	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[296.82; 420.70]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.52581e+01
Coefficient B			-3.67169e+03
Coefficient C			-5.15580e+01
Temperature range, min.			296.82
Temperature range, max.			420.70
Pvap	1.33	kPa	296.82	Calculated Property
Pvap	2.95	kPa	310.58	Calculated Property
Pvap	6.04	kPa	324.35	Calculated Property
Pvap	11.53	kPa	338.11	Calculated Property
Pvap	20.74	kPa	351.88	Calculated Property
Pvap	35.44	kPa	365.64	Calculated Property
Pvap	57.90	kPa	379.41	Calculated Property
Pvap	90.92	kPa	393.17	Calculated Property
Pvap	137.87	kPa	406.94	Calculated Property
Pvap	202.66	kPa	420.70	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butanol, 2-methyl-, acetate.

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
• The Yaws Handbook of Vapor Pressure

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