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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[545.11; 623.30]	J/mol×K	[669.21; 873.69]
Cp,gas	545.11	J/mol×K	669.21	Joback Calculated Property
Cp,gas	560.48	J/mol×K	703.29	Joback Calculated Property
Cp,gas	574.89	J/mol×K	737.37	Joback Calculated Property
Cp,gas	588.37	J/mol×K	771.45	Joback Calculated Property
Cp,gas	600.92	J/mol×K	805.53	Joback Calculated Property
Cp,gas	612.56	J/mol×K	839.61	Joback Calculated Property
Cp,gas	623.30	J/mol×K	873.69	Joback Calculated Property
η	[0.0000902; 0.0016188]	Pa×s	[365.96; 669.21]
η	0.0016188	Pa×s	365.96	Joback Calculated Property
η	0.0007471	Pa×s	416.50	Joback Calculated Property
η	0.0004076	Pa×s	467.04	Joback Calculated Property
η	0.0002504	Pa×s	517.59	Joback Calculated Property
η	0.0001677	Pa×s	568.13	Joback Calculated Property
η	0.0001199	Pa×s	618.67	Joback Calculated Property
η	0.0000902	Pa×s	669.21	Joback 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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