Chemical Properties of 2,2-Dimethylvaleroyl chloride (CAS 15721-22-9)

InChI

InChI=1S/C7H13ClO/c1-4-5-7(2,3)6(8)9/h4-5H2,1-3H3

InChI Key

NUBKYCCXDNYHLQ-UHFFFAOYSA-N

Formula

C7H13ClO

SMILES

CCCC(C)(C)C(=O)Cl

Molecular Weight¹

148.63

CAS

15721-22-9

Other Names

• Pentanoyl chloride, 2,2-dimethyl-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.85; 379.22]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-7.69800e+00
Coefficient B			7.73460e-01
Coefficient C			-5.30500e-04
Coefficient D			1.43960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.85	J/mol×K	273.00	Calculated Property
Cp,gas	205.91	J/mol×K	353.78	Calculated Property
Cp,gas	240.05	J/mol×K	434.56	Calculated Property
Cp,gas	269.71	J/mol×K	515.33	Calculated Property
Cp,gas	295.35	J/mol×K	596.11	Calculated Property
Cp,gas	317.43	J/mol×K	676.89	Calculated Property
Cp,gas	336.40	J/mol×K	757.67	Calculated Property
Cp,gas	352.72	J/mol×K	838.44	Calculated Property
Cp,gas	366.84	J/mol×K	919.22	Calculated Property
Cp,gas	379.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0059406; 0.0003363]	Pa×s	[250.92; 450.24]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.16125e+01
Coefficient B			1.62761e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			250.92
Temperature range, max.			450.24
η	0.0059406	Pa×s	250.92	Calculated Property
η	0.0035104	Pa×s	273.07	Calculated Property
η	0.0022447	Pa×s	295.21	Calculated Property
η	0.0015278	Pa×s	317.36	Calculated Property
η	0.0010934	Pa×s	339.51	Calculated Property
η	0.0008152	Pa×s	361.65	Calculated Property
η	0.0006288	Pa×s	383.80	Calculated Property
η	0.0004989	Pa×s	405.94	Calculated Property
η	0.0004055	Pa×s	428.09	Calculated Property
η	0.0003363	Pa×s	450.24	Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Dimethylvaleroyl chloride.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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