Chemical Properties of Pentanal, 2,3-dimethyl- (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-Dimethylpentanal
• 2,3-Dimethylvaleraldehyde
• Butanal, 3-ethyl-2-methyl
• Valeraldehyde, 2,3-dimethyl-

• 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).
• 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 : 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
ΔfG°	-96.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-283.95	kJ/mol	Joback Calculated Property
ΔfusH°	9.13	kJ/mol	Joback Calculated Property
ΔvapH°	37.12	kJ/mol	Joback Calculated Property
log10WS	-1.55		Crippen Calculated Property
logPoct/wat	1.868		Crippen Calculated Property
McVol	111.060	ml/mol	McGowan Calculated Property
Pc	3086.42	kPa	Joback Calculated Property
I	[1258.00; 1258.00]
I	1258.00		NIST
I	1258.00		NIST
Tboil	407.34	K	Joback Calculated Property
Tc	587.04	K	Joback Calculated Property
Tfus	180.65	K	Joback Calculated Property
Vc	0.432	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[216.96; 280.30]	J/mol×K	[407.34; 587.04]
Cp,gas	216.96	J/mol×K	407.34	Joback Calculated Property
Cp,gas	228.67	J/mol×K	437.29	Joback Calculated Property
Cp,gas	239.91	J/mol×K	467.24	Joback Calculated Property
Cp,gas	250.68	J/mol×K	497.19	Joback Calculated Property
Cp,gas	260.99	J/mol×K	527.14	Joback Calculated Property
Cp,gas	270.87	J/mol×K	557.09	Joback Calculated Property
Cp,gas	280.30	J/mol×K	587.04	Joback Calculated Property
η	[0.0002974; 0.0134730]	Pa×s	[180.65; 407.34]
η	0.0134730	Pa×s	180.65	Joback Calculated Property
η	0.0041185	Pa×s	218.43	Joback Calculated Property
η	0.0017858	Pa×s	256.21	Joback Calculated Property
η	0.0009598	Pa×s	294.00	Joback Calculated Property
η	0.0005942	Pa×s	331.78	Joback Calculated Property
η	0.0004058	Pa×s	369.56	Joback Calculated Property
η	0.0002974	Pa×s	407.34	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[308.12; 443.59]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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 Pentanal, 2,3-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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