Chemical Properties of 1-Propanol, 3-chloro, butanoate

InChI

InChI=1S/C7H13ClO2/c1-2-4-7(9)10-6-3-5-8/h2-6H2,1H3

InChI Key

QUBZBHHDHWVMSW-UHFFFAOYSA-N

Formula

C7H13ClO2

SMILES

CCCC(=O)OCCCCl

Molecular Weight¹

164.63

• ω : Acentric Factor.
• 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).
• 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).
• I_np : Non-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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[183.72; 396.84]	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			3.48250e+01
Coefficient B			6.20820e-01
Coefficient C			-2.82800e-04
Coefficient D			2.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	183.72	J/mol×K	273.00	Calculated Property
Cp,gas	220.13	J/mol×K	353.78	Calculated Property
Cp,gas	253.17	J/mol×K	434.56	Calculated Property
Cp,gas	282.94	J/mol×K	515.33	Calculated Property
Cp,gas	309.49	J/mol×K	596.11	Calculated Property
Cp,gas	332.92	J/mol×K	676.89	Calculated Property
Cp,gas	353.29	J/mol×K	757.67	Calculated Property
Cp,gas	370.69	J/mol×K	838.44	Calculated Property
Cp,gas	385.18	J/mol×K	919.22	Calculated Property
Cp,gas	396.85	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053076; 0.0002894]	Pa×s	[240.90; 444.37]	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			-1.15923e+01
Coefficient B			1.53060e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			240.90
Temperature range, max.			444.37
η	0.0053076	Pa×s	240.90	Calculated Property
η	0.0030772	Pa×s	263.51	Calculated Property
η	0.0019446	Pa×s	286.12	Calculated Property
η	0.0013143	Pa×s	308.72	Calculated Property
η	0.0009371	Pa×s	331.33	Calculated Property
η	0.0006976	Pa×s	353.94	Calculated Property
η	0.0005381	Pa×s	376.55	Calculated Property
η	0.0004274	Pa×s	399.15	Calculated Property
η	0.0003480	Pa×s	421.76	Calculated Property
η	0.0002894	Pa×s	444.37	Calculated Property

Similar Compounds

Find more compounds similar to 1-Propanol, 3-chloro, butanoate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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