Chemical Properties of 3-Penten-2-one, 3-methyl- (CAS 565-62-8)

InChI

InChI=1S/C6H10O/c1-4-5(2)6(3)7/h4H,1-3H3/b5-4+

InChI Key

ZAMCMCQRTZKGDX-SNAWJCMRSA-N

Formula

C6H10O

SMILES

CC=C(C)C(C)=O

Molecular Weight¹

98.14

CAS

565-62-8

Other Names

• 3-Methyl-2-penten-4-one
• 3-Methyl-3-pentene-2-one
• 3-methyl-3-penten-2-one
• 3-methylpent-3-en-2-one
• CH3CH=C(CH3)C(=O)CH3

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_np : Non-polar retention indices.
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-57.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-172.32	kJ/mol	Joback Calculated Property
ΔfusH°	11.79	kJ/mol	Joback Calculated Property
ΔvapH°	35.73	kJ/mol	Joback Calculated Property
IE	9.35	eV	NIST
log10WS	-1.47		Crippen Calculated Property
logPoct/wat	1.542		Crippen Calculated Property
McVol	92.670	ml/mol	McGowan Calculated Property
Pc	3568.53	kPa	Joback Calculated Property
Inp	[859.00; 902.00]
Inp	859.00		NIST
Inp	902.00		NIST
Tboil	411.20	K	NIST
Tc	585.25	K	Joback Calculated Property
Tfus	188.27	K	Joback Calculated Property
Vc	0.358	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[162.72; 215.42]	J/mol×K	[394.59; 585.25]
Cp,gas	162.72	J/mol×K	394.59	Joback Calculated Property
Cp,gas	172.66	J/mol×K	426.37	Joback Calculated Property
Cp,gas	182.11	J/mol×K	458.14	Joback Calculated Property
Cp,gas	191.09	J/mol×K	489.92	Joback Calculated Property
Cp,gas	199.62	J/mol×K	521.70	Joback Calculated Property
Cp,gas	207.73	J/mol×K	553.47	Joback Calculated Property
Cp,gas	215.42	J/mol×K	585.25	Joback Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[303.96; 437.59]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46535e+01
Coefficient B			-3.56988e+03
Coefficient C			-5.54640e+01
Temperature range, min.			303.96
Temperature range, max.			437.59
Pvap	1.33	kPa	303.96	Calculated Property
Pvap	3.00	kPa	318.81	Calculated Property
Pvap	6.18	kPa	333.66	Calculated Property
Pvap	11.84	kPa	348.50	Calculated Property
Pvap	21.30	kPa	363.35	Calculated Property
Pvap	36.31	kPa	378.20	Calculated Property
Pvap	59.07	kPa	393.05	Calculated Property
Pvap	92.22	kPa	407.89	Calculated Property
Pvap	138.89	kPa	422.74	Calculated Property
Pvap	202.62	kPa	437.59	Calculated Property

Similar Compounds

Find more compounds similar to 3-Penten-2-one, 3-methyl-.

Sources

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

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