Chemical Properties of 2,3-Dimethylpentanal (CAS 32749-94-3)

InChI

InChI=1S/C7H14O/c1-4-6(2)7(3)5-8/h5-7H,4H2,1-3H3

InChI Key

BOHKXQAJUVXBDQ-UHFFFAOYSA-N

Formula

C7H14O

SMILES

CCC(C)C(C)C=O

Molecular Weight¹

114.19

CAS

32749-94-3

Other Names

• 2,3-Dimethylpentaldehyde
• 2,3-Dimethylvaleraldehyde
• Butanal, 3-ethyl-2-methyl
• Valeraldehyde, 2,3-dimethyl-

• 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_p : 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	0.3742		Relay (1.0) Calculated Property
ΔfG°	-96.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-288.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.13	kJ/mol	Joback Calculated Property
ΔvapH°	44.34	kJ/mol	Relay (1.0) Calculated Property
IE	9.46	eV	Relay (1.0) Calculated Property
log10WS	-1.77		Relay (1.0) Calculated Property
logPoct/wat	1.868		Crippen Calculated Property
McVol	111.060	ml/mol	McGowan Calculated Property
Pc	3086.42	kPa	Joback Calculated Property
Ip	[1258.00; 1258.00]
Ip	1258.00		NIST
Ip	1258.00		NIST
Tboil	396.67	K	Relay (1.0) Calculated Property
Tc	598.74	K	Relay (1.0) Calculated Property
Tfus	214.13	K	Relay (1.0) Calculated Property
Vc	0.392	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[158.26; 372.32]	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			4.56100e+00
Coefficient B			6.55160e-01
Coefficient C			-3.56400e-04
Coefficient D			6.90000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	158.26	J/mol×K	273.00	Calculated Property
Cp,gas	194.79	J/mol×K	353.78	Calculated Property
Cp,gas	227.62	J/mol×K	434.56	Calculated Property
Cp,gas	256.98	J/mol×K	515.33	Calculated Property
Cp,gas	283.08	J/mol×K	596.11	Calculated Property
Cp,gas	306.14	J/mol×K	676.89	Calculated Property
Cp,gas	326.37	J/mol×K	757.67	Calculated Property
Cp,gas	344.00	J/mol×K	838.44	Calculated Property
Cp,gas	359.24	J/mol×K	919.22	Calculated Property
Cp,gas	372.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0134730; 0.0002892]	Pa×s	[180.65; 411.13]	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			-1.11592e+01
Coefficient B			1.23783e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			180.65
Temperature range, max.			411.13
η	0.0134730	Pa×s	180.65	Calculated Property
η	0.0057543	Pa×s	206.26	Calculated Property
η	0.0029657	Pa×s	231.87	Calculated Property
η	0.0017439	Pa×s	257.48	Calculated Property
η	0.0011289	Pa×s	283.09	Calculated Property
η	0.0007854	Pa×s	308.70	Calculated Property
η	0.0005777	Pa×s	334.30	Calculated Property
η	0.0004439	Pa×s	359.91	Calculated Property
η	0.0003532	Pa×s	385.52	Calculated Property
η	0.0002892	Pa×s	411.13	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[308.12; 443.59]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47179e+01
Coefficient B			-3.66015e+03
Coefficient C			-5.44770e+01
Temperature range, min.			308.12
Temperature range, max.			443.59
Pvap	1.33	kPa	308.12	Calculated Property
Pvap	2.99	kPa	323.17	Calculated Property
Pvap	6.16	kPa	338.22	Calculated Property
Pvap	11.80	kPa	353.28	Calculated Property
Pvap	21.24	kPa	368.33	Calculated Property
Pvap	36.22	kPa	383.38	Calculated Property
Pvap	58.94	kPa	398.43	Calculated Property
Pvap	92.09	kPa	413.49	Calculated Property
Pvap	138.79	kPa	428.54	Calculated Property
Pvap	202.66	kPa	443.59	Calculated Property

Similar Compounds

Find more compounds similar to 2,3-Dimethylpentanal.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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