Chemical Properties of Dimethylketene (CAS 598-26-5)

InChI

InChI=1S/C4H6O/c1-4(2)3-5/h1-2H3

InChI Key

VDOKWPVSGXHSNP-UHFFFAOYSA-N

Formula

C4H6O

SMILES

CC(C)=C=O

Molecular Weight¹

70.09

CAS

598-26-5

Other Names

• (CH3)2C=C=O
• 1,1-Dimethylketene
• 1-Propen-1-one, 2-methyl-
• 2-methyl-1-propen-1-one
• Ketene, dimethyl-

• 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.
• 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°	-55.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-106.09	kJ/mol	Joback Calculated Property
ΔfusH°	12.34	kJ/mol	Joback Calculated Property
ΔvapH°	30.75	kJ/mol	Joback Calculated Property
IE	[8.38; 8.45]	eV
IE	8.38	eV	NIST
IE	8.45	eV	NIST
IE	8.38	eV	NIST
log10WS	-5.29		Crippen Calculated Property
logPoct/wat	0.784		Crippen Calculated Property
McVol	64.490	ml/mol	McGowan Calculated Property
Pc	5359.18	kPa	Joback Calculated Property
Inp	[484.00; 484.00]
Inp	484.00		NIST
Inp	484.00		NIST
I	[1215.00; 1215.00]
I	1215.00		NIST
I	1215.00		NIST
Tboil	284.95	K	Joback Calculated Property
Tc	448.33	K	Joback Calculated Property
Tfus	143.30	K	Joback Calculated Property
Vc	0.258	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[90.99; 123.59]	J/mol×K	[284.95; 448.33]
Cp,gas	90.99	J/mol×K	284.95	Joback Calculated Property
Cp,gas	97.10	J/mol×K	312.18	Joback Calculated Property
Cp,gas	102.92	J/mol×K	339.41	Joback Calculated Property
Cp,gas	108.47	J/mol×K	366.64	Joback Calculated Property
Cp,gas	113.76	J/mol×K	393.87	Joback Calculated Property
Cp,gas	118.80	J/mol×K	421.10	Joback Calculated Property
Cp,gas	123.59	J/mol×K	448.33	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 397.76]	kPa	[267.44; 389.81]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.64479e+01
Coefficient B			-3.63072e+03
Coefficient C			-4.27740e+01
Temperature range, min.			267.44
Temperature range, max.			389.81
Pvap	1.33	kPa	267.44	Calculated Property
Pvap	3.35	kPa	281.04	Calculated Property
Pvap	7.63	kPa	294.63	Calculated Property
Pvap	15.97	kPa	308.23	Calculated Property
Pvap	31.10	kPa	321.83	Calculated Property
Pvap	56.91	kPa	335.42	Calculated Property
Pvap	98.73	kPa	349.02	Calculated Property
Pvap	163.42	kPa	362.62	Calculated Property
Pvap	259.62	kPa	376.21	Calculated Property
Pvap	397.76	kPa	389.81	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylketene.

Sources

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

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