Chemical Properties of Pentanal, 4-methyl-

InChI

InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3

InChI Key

JGEGJYXHCFUMJF-UHFFFAOYSA-N

Formula

C6H12O

SMILES

CC(C)CCC=O

Molecular Weight¹

100.16

Other Names

• Pentanal, 4-methyl-
• 4-methylvaleraldehyde

• 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).
• 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	0.3785		Relay (1.0) Calculated Property
ΔfG°	-102.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-268.33	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.06	kJ/mol	Joback Calculated Property
ΔvapH°	40.93	kJ/mol	Relay (1.0) Calculated Property
IE	9.80	eV	NIST
log10WS	-1.10		Relay (1.0) Calculated Property
logPoct/wat	1.621		Crippen Calculated Property
McVol	96.970	ml/mol	McGowan Calculated Property
Pc	3411.87	kPa	Joback Calculated Property
Inp	714.00		NIST
I	[1038.00; 1039.00]
I	1038.00		NIST
I	1039.00		NIST
I	1038.00		NIST
Tboil	[394.15; 397.15]	K
Tboil	394.15 ± 3.00	K	NIST
Tboil	Outlier 397.15 ± 3.00	K	NIST
Tboil	395.15 ± 1.50	K	NIST
Tboil	394.15 ± 2.00	K	NIST
Tboil	394.25 ± 1.50	K	NIST
Tboil	395.15 ± 2.00	K	NIST
Tc	573.80	K	Relay (1.0) Calculated Property
Tfus	188.72	K	Relay (1.0) Calculated Property
Vc	0.350	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[179.57; 234.40]	J/mol×K	[385.10; 561.68]
Cp,gas	179.57	J/mol×K	385.10	Joback Calculated Property
Cp,gas	189.66	J/mol×K	414.53	Joback Calculated Property
Cp,gas	199.36	J/mol×K	443.96	Joback Calculated Property
Cp,gas	208.67	J/mol×K	473.39	Joback Calculated Property
Cp,gas	217.61	J/mol×K	502.82	Joback Calculated Property
Cp,gas	226.18	J/mol×K	532.25	Joback Calculated Property
Cp,gas	234.40	J/mol×K	561.68	Joback Calculated Property
η	[0.0003079; 0.0070161]	Pa×s	[184.38; 385.10]
η	0.0070161	Pa×s	184.38	Joback Calculated Property
η	0.0027930	Pa×s	217.83	Joback Calculated Property
η	0.0014209	Pa×s	251.29	Joback Calculated Property
η	0.0008473	Pa×s	284.74	Joback Calculated Property
η	0.0005632	Pa×s	318.19	Joback Calculated Property
η	0.0004047	Pa×s	351.65	Joback Calculated Property
η	0.0003079	Pa×s	385.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Pentanal, 4-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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