Chemical Properties of Cyclopropanecarboxylic acid, 2-methylpentyl ester

InChI

InChI=1S/C10H18O2/c1-3-4-8(2)7-12-10(11)9-5-6-9/h8-9H,3-7H2,1-2H3

InChI Key

YQWUBVGTPXCEQE-UHFFFAOYSA-N

Formula

C10H18O2

SMILES

CCCC(C)COC(=O)C1CC1

Molecular Weight¹

170.25

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	20.64	kJ/mol	Joback Calculated Property
logPoct/wat	2.376		Crippen Calculated Property
McVol	148.340	ml/mol	McGowan Calculated Property
Inp	[1219.00; 1219.00]
Inp	1219.00		NIST
Inp	1219.00		NIST
Tboil	482.35	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[210.20; 523.62]	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			-3.27170e+01
Coefficient B			1.05584e+00
Coefficient C			-6.49000e-04
Coefficient D			1.49500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.20	J/mol×K	273.00	Calculated Property
Cp,gas	266.21	J/mol×K	353.78	Calculated Property
Cp,gas	315.82	J/mol×K	434.56	Calculated Property
Cp,gas	359.50	J/mol×K	515.33	Calculated Property
Cp,gas	397.73	J/mol×K	596.11	Calculated Property
Cp,gas	430.98	J/mol×K	676.89	Calculated Property
Cp,gas	459.72	J/mol×K	757.67	Calculated Property
Cp,gas	484.42	J/mol×K	838.44	Calculated Property
Cp,gas	505.57	J/mol×K	919.22	Calculated Property
Cp,gas	523.62	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039815; 0.0004204]	Pa×s	[247.73; 475.09]	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			-1.02237e+01
Coefficient B			1.16374e+03
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.			247.73
Temperature range, max.			475.09
η	0.0039815	Pa×s	247.73	Calculated Property
η	0.0025778	Pa×s	272.99	Calculated Property
η	0.0017965	Pa×s	298.26	Calculated Property
η	0.0013247	Pa×s	323.52	Calculated Property
η	0.0010208	Pa×s	348.78	Calculated Property
η	0.0008149	Pa×s	374.04	Calculated Property
η	0.0006693	Pa×s	399.31	Calculated Property
η	0.0005627	Pa×s	424.57	Calculated Property
η	0.0004824	Pa×s	449.83	Calculated Property
η	0.0004204	Pa×s	475.09	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, 2-methylpentyl ester.

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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