Chemical Properties of 1-Butoxypropan-2-yl 2-chlorobenzoate

InChI

InChI=1S/C14H19ClO3/c1-3-4-9-17-10-11(2)18-14(16)12-7-5-6-8-13(12)15/h5-8,11H,3-4,9-10H2,1-2H3

InChI Key

QUTXSDYNUBWDOH-UHFFFAOYSA-N

Formula

C14H19ClO3

SMILES

CCCCOCC(C)OC(=O)c1ccccc1Cl

Molecular Weight¹

270.75

• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-577.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.90	kJ/mol	Joback Calculated Property
ΔvapH°	85.31	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.95		Relay (1.0) Calculated Property
logPoct/wat	3.702		Crippen Calculated Property
McVol	209.910	ml/mol	McGowan Calculated Property
Pc	1911.91	kPa	Joback Calculated Property
Inp	[1835.00; 1835.00]
Inp	1835.00		NIST
Inp	1835.00		NIST
Tboil	583.15	K	Relay (1.0) Calculated Property
Tfus	238.92	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[292.60; 655.45]	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			3.26740e+01
Coefficient B			1.09014e+00
Coefficient C			-5.19960e-04
Coefficient D			5.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	292.60	J/mol×K	273.00	Calculated Property
Cp,gas	355.59	J/mol×K	353.78	Calculated Property
Cp,gas	412.53	J/mol×K	434.56	Calculated Property
Cp,gas	463.57	J/mol×K	515.33	Calculated Property
Cp,gas	508.89	J/mol×K	596.11	Calculated Property
Cp,gas	548.66	J/mol×K	676.89	Calculated Property
Cp,gas	583.03	J/mol×K	757.67	Calculated Property
Cp,gas	612.17	J/mol×K	838.44	Calculated Property
Cp,gas	636.26	J/mol×K	919.22	Calculated Property
Cp,gas	655.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016188; 0.0001253]	Pa×s	[365.96; 611.58]	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			-1.27978e+01
Coefficient B			2.33179e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			365.96
Temperature range, max.			611.58
η	0.0016188	Pa×s	365.96	Calculated Property
η	0.0010403	Pa×s	393.25	Calculated Property
η	0.0007080	Pa×s	420.54	Calculated Property
η	0.0005050	Pa×s	447.83	Calculated Property
η	0.0003744	Pa×s	475.13	Calculated Property
η	0.0002868	Pa×s	502.42	Calculated Property
η	0.0002258	Pa×s	529.71	Calculated Property
η	0.0001820	Pa×s	557.00	Calculated Property
η	0.0001497	Pa×s	584.29	Calculated Property
η	0.0001253	Pa×s	611.58	Calculated Property

Similar Compounds

Find more compounds similar to 1-Butoxypropan-2-yl 2-chlorobenzoate.

Sources

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

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