Chemical Properties of Methanone, dicyclopropyl- (CAS 1121-37-5)

InChI

InChI=1S/C7H10O/c8-7(5-1-2-5)6-3-4-6/h5-6H,1-4H2

InChI Key

BIPUHAHGLJKIPK-UHFFFAOYSA-N

Formula

C7H10O

SMILES

O=C(C1CC1)C1CC1

Molecular Weight¹

110.15

CAS

1121-37-5

Other Names

• Cyclopropyl ketone
• Dicyclopropyl ketone
• Dicyclopropylmethanone

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	880.40	kJ/mol	NIST
BasG	850.60	kJ/mol	NIST
ΔfH°gas	-107.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.75	kJ/mol	Joback Calculated Property
ΔvapH°	48.03	kJ/mol	Relay (1.0) Calculated Property
IE	[9.10; 9.28]	eV
IE	9.10	eV	NIST
IE	9.28	eV	NIST
logPoct/wat	1.375		Crippen Calculated Property
McVol	89.340	ml/mol	McGowan Calculated Property
Tboil	434.20	K	NIST
Tfus	273.89	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[108.02; 328.96]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-9.66000e+01
Coefficient B			9.42600e-01
Coefficient C			-7.78700e-04
Coefficient D			2.61660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	108.02	J/mol×K	273.00	Calculated Property
Cp,gas	151.00	J/mol×K	353.78	Calculated Property
Cp,gas	187.44	J/mol×K	434.56	Calculated Property
Cp,gas	218.16	J/mol×K	515.33	Calculated Property
Cp,gas	244.01	J/mol×K	596.11	Calculated Property
Cp,gas	265.80	J/mol×K	676.89	Calculated Property
Cp,gas	284.36	J/mol×K	757.67	Calculated Property
Cp,gas	300.53	J/mol×K	838.44	Calculated Property
Cp,gas	315.12	J/mol×K	919.22	Calculated Property
Cp,gas	328.96	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010953; 0.0008038]	Pa×s	[254.46; 444.69]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-7.54010e+00
Coefficient B			1.84070e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			254.46
Temperature range, max.			444.69
η	0.0010953	Pa×s	254.46	Calculated Property
η	0.0010362	Pa×s	275.60	Calculated Property
η	0.0009880	Pa×s	296.73	Calculated Property
η	0.0009481	Pa×s	317.87	Calculated Property
η	0.0009145	Pa×s	339.01	Calculated Property
η	0.0008858	Pa×s	360.14	Calculated Property
η	0.0008611	Pa×s	381.28	Calculated Property
η	0.0008395	Pa×s	402.41	Calculated Property
η	0.0008206	Pa×s	423.55	Calculated Property
η	0.0008038	Pa×s	444.69	Calculated Property

Similar Compounds

Find more compounds similar to Methanone, dicyclopropyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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