Chemical Properties of Propanoic acid, 2,2-dimethyl-, butyl ester (CAS 5129-37-3)

InChI

InChI=1S/C9H18O2/c1-5-6-7-11-8(10)9(2,3)4/h5-7H2,1-4H3

InChI Key

FCDMDSDHBVPGGE-UHFFFAOYSA-N

Formula

C9H18O2

SMILES

CCCCOC(=O)C(C)(C)C

Molecular Weight¹

158.24

CAS

5129-37-3

Other Names

• 2,2-Dimethylpropionic acid, buthyl ester
• butyl 2,2-dimethylpropanoate
• butyl pivalate
• n-Butyl pivalate
• pivalic acid, butyl ester

• 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).
• 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	0.4937		Relay (1.0) Calculated Property
ΔcH°liquid	-5497.70 ± 1.00	kJ/mol	NIST
ΔfG°	-206.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-566.00 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-616.40 ± 1.00	kJ/mol	NIST
ΔfusH°	14.44	kJ/mol	Joback Calculated Property
ΔvapH°	[49.50; 5552.00]	kJ/mol
ΔvapH°	49.50 ± 0.20	kJ/mol	NIST
ΔvapH°	50.39 ± 0.34	kJ/mol	NIST
ΔvapH°	50.40	kJ/mol	NIST
ΔvapH°	50.40 ± 0.30	kJ/mol	NIST
ΔvapH°	5552.00	kJ/mol	NIST
IE	9.71	eV	Relay (1.0) Calculated Property
log10WS	-2.32		Relay (1.0) Calculated Property
logPoct/wat	2.376		Crippen Calculated Property
McVol	145.110	ml/mol	McGowan Calculated Property
Pc	2458.04	kPa	Joback Calculated Property
Inp	[963.00; 965.00]
Inp	965.00		NIST
Inp	963.00		NIST
Inp	965.00		NIST
I	[1128.00; 1133.00]
I	1133.00		NIST
I	1128.00		NIST
I	1133.00		NIST
Tboil	428.30	K	Relay (1.0) Calculated Property
Tc	605.07	K	Relay (1.0) Calculated Property
Tfus	190.55	K	Relay (1.0) Calculated Property
Vc	0.551	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[325.67; 402.36]	J/mol×K	[478.38; 662.57]
Cp,gas	325.67	J/mol×K	478.38	Joback Calculated Property
Cp,gas	340.03	J/mol×K	509.08	Joback Calculated Property
Cp,gas	353.74	J/mol×K	539.78	Joback Calculated Property
Cp,gas	366.81	J/mol×K	570.48	Joback Calculated Property
Cp,gas	379.26	J/mol×K	601.18	Joback Calculated Property
Cp,gas	391.10	J/mol×K	631.87	Joback Calculated Property
Cp,gas	402.36	J/mol×K	662.57	Joback Calculated Property
η	[0.0002372; 0.0045510]	Pa×s	[265.77; 478.38]
η	0.0045510	Pa×s	265.77	Joback Calculated Property
η	0.0020820	Pa×s	301.20	Joback Calculated Property
η	0.0011229	Pa×s	336.64	Joback Calculated Property
η	0.0006812	Pa×s	372.07	Joback Calculated Property
η	0.0004508	Pa×s	407.51	Joback Calculated Property
η	0.0003187	Pa×s	442.94	Joback Calculated Property
η	0.0002372	Pa×s	478.38	Joback Calculated Property
Pvap	[0.05; 0.75]	kPa	[273.60; 313.30]
Pvap	0.05	kPa	273.60	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.05	kPa	273.90	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.05	kPa	274.70	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.06	kPa	276.50	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.07	kPa	278.40	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.09	kPa	282.60	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.10	kPa	283.20	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.12	kPa	285.60	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.14	kPa	288.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.15	kPa	288.70	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.19	kPa	291.70	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.21	kPa	293.20	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.23	kPa	294.80	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.29	kPa	297.80	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.28	kPa	298.10	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.35	kPa	300.80	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.41	kPa	303.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.43	kPa	303.90	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.52	kPa	307.00	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.56	kPa	308.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.60	kPa	309.00	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters
Pvap	0.75	kPa	313.30	Transpiration method: Vapor pressures and enthalpies of vaporization of some low-boiling esters

Similar Compounds

Find more compounds similar to Propanoic acid, 2,2-dimethyl-, butyl 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

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.