Chemical Properties of Propanoic acid, 2,2-dimethyl-, pentyl ester (CAS 2313-68-0)

InChI

InChI=1S/C10H20O2/c1-5-6-7-8-12-9(11)10(2,3)4/h5-8H2,1-4H3

InChI Key

IOTAYCLTDJEUCF-UHFFFAOYSA-N

Formula

C10H20O2

SMILES

CCCCCOC(=O)C(C)(C)C

Molecular Weight¹

172.26

CAS

2313-68-0

Other Names

• 2,2-Dimethylpropionic acid, pentyl ester

• 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.
• 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	0.5365		Relay (1.0) Calculated Property
ΔfH°gas	-576.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.61	kJ/mol	Joback Calculated Property
ΔvapH°	53.10	kJ/mol	Relay (1.0) Calculated Property
IE	9.65	eV	Relay (1.0) Calculated Property
log10WS	-2.87		Relay (1.0) Calculated Property
logPoct/wat	2.766		Crippen Calculated Property
McVol	159.200	ml/mol	McGowan Calculated Property
Pc	2155.30	kPa	Joback Calculated Property
Inp	[1062.00; 1063.00]
Inp	1062.00		NIST
Inp	1063.00		NIST
Inp	1062.00		NIST
I	[1227.00; 1228.00]
I	1227.00		NIST
I	1228.00		NIST
I	1228.00		NIST
Tboil	447.24	K	Relay (1.0) Calculated Property
Tc	632.57	K	Relay (1.0) Calculated Property
Tfus	195.47	K	Relay (1.0) Calculated Property
Vc	0.612	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	[364.41; 447.26]	J/mol×K	[483.39; 662.75]
Cp,gas	364.41	J/mol×K	483.39	Joback Calculated Property
Cp,gas	379.98	J/mol×K	513.28	Joback Calculated Property
Cp,gas	394.82	J/mol×K	543.18	Joback Calculated Property
Cp,gas	408.94	J/mol×K	573.07	Joback Calculated Property
Cp,gas	422.38	J/mol×K	602.96	Joback Calculated Property
Cp,gas	435.15	J/mol×K	632.86	Joback Calculated Property
Cp,gas	447.26	J/mol×K	662.75	Joback Calculated Property
η	[0.0002055; 0.0084823]	Pa×s	[247.21; 483.39]
η	0.0084823	Pa×s	247.21	Joback Calculated Property
η	0.0029806	Pa×s	286.57	Joback Calculated Property
η	0.0013483	Pa×s	325.94	Joback Calculated Property
η	0.0007237	Pa×s	365.30	Joback Calculated Property
η	0.0004384	Pa×s	404.66	Joback Calculated Property
η	0.0002902	Pa×s	444.03	Joback Calculated Property
η	0.0002055	Pa×s	483.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 2,2-dimethyl-, pentyl ester.

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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