Chemical Properties of C2H5C(CH3)2COCH3 (CAS 20669-04-9)

InChI

InChI=1S/C7H14O/c1-5-7(3,4)6(2)8/h5H2,1-4H3

InChI Key

QSHJLBQLQVSEFV-UHFFFAOYSA-N

Formula

C7H14O

SMILES

CCC(C)(C)C(C)=O

Molecular Weight¹

114.19

CAS

20669-04-9

Other Names

• 3,3-Dimethyl-2-pentanone
• 3,3-Dimethylpentan-2-one

• 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).
• 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°	-118.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-303.80 ± 1.70	kJ/mol	NIST
ΔfusH°	8.07	kJ/mol	Joback Calculated Property
ΔvapH°	36.63	kJ/mol	Joback Calculated Property
IE	9.02 ± 0.01	eV	NIST
log10WS	-1.79		Crippen Calculated Property
logPoct/wat	2.012		Crippen Calculated Property
McVol	111.060	ml/mol	McGowan Calculated Property
Pc	3059.17	kPa	Joback Calculated Property
Tboil	[402.15; 405.65]	K
Tboil	402.15 ± 5.00	K	NIST
Tboil	405.65 ± 1.00	K	NIST
Tboil	404.15 ± 1.00	K	NIST
Tboil	403.65 ± 1.00	K	NIST
Tboil	403.75 ± 1.00	K	NIST
Tboil	404.65 ± 1.00	K	NIST
Tboil	405.15 ± 1.00	K	NIST
Tc	598.48	K	Joback Calculated Property
Tfus	221.00	K	Joback Calculated Property
Vc	0.422	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[217.39; 284.48]	J/mol×K	[410.20; 598.48]
Cp,gas	217.39	J/mol×K	410.20	Joback Calculated Property
Cp,gas	230.12	J/mol×K	441.58	Joback Calculated Property
Cp,gas	242.19	J/mol×K	472.96	Joback Calculated Property
Cp,gas	253.64	J/mol×K	504.34	Joback Calculated Property
Cp,gas	264.49	J/mol×K	535.72	Joback Calculated Property
Cp,gas	274.76	J/mol×K	567.10	Joback Calculated Property
Cp,gas	284.48	J/mol×K	598.48	Joback Calculated Property
η	[0.0003249; 0.0067880]	Pa×s	[221.00; 410.20]
η	0.0067880	Pa×s	221.00	Joback Calculated Property
η	0.0029812	Pa×s	252.53	Joback Calculated Property
η	0.0015717	Pa×s	284.07	Joback Calculated Property
η	0.0009417	Pa×s	315.60	Joback Calculated Property
η	0.0006193	Pa×s	347.13	Joback Calculated Property
η	0.0004367	Pa×s	378.67	Joback Calculated Property
η	0.0003249	Pa×s	410.20	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[300.50; 429.19]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49580e+01
Coefficient B			-3.62517e+03
Coefficient C			-5.33920e+01
Temperature range, min.			300.50
Temperature range, max.			429.19
Pvap	1.33	kPa	300.50	Calculated Property
Pvap	2.97	kPa	314.80	Calculated Property
Pvap	6.11	kPa	329.10	Calculated Property
Pvap	11.68	kPa	343.40	Calculated Property
Pvap	21.01	kPa	357.70	Calculated Property
Pvap	35.86	kPa	371.99	Calculated Property
Pvap	58.46	kPa	386.29	Calculated Property
Pvap	91.55	kPa	400.59	Calculated Property
Pvap	138.36	kPa	414.89	Calculated Property
Pvap	202.64	kPa	429.19	Calculated Property

Similar Compounds

Find more compounds similar to C2H5C(CH3)2COCH3.

Sources

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

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