Chemical Properties of Ethyl chloroatrarate (CAS 57074-25-6)

InChI

InChI=1S/C11H13ClO4/c1-4-16-11(15)7-5(2)8(12)10(14)6(3)9(7)13/h13-14H,4H2,1-3H3

InChI Key

FOBOHPQHGJSWBL-UHFFFAOYSA-N

Formula

C11H13ClO4

SMILES

CCOC(=O)c1c(C)c(Cl)c(O)c(C)c1O

Molecular Weight¹

244.67

CAS

57074-25-6

• 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).
• IE : Ionization energy (eV).
• 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°	37.25	kJ/mol	Joback Calculated Property
IE	7.99	eV	Relay (1.0) Calculated Property
logPoct/wat	2.545		Crippen Calculated Property
McVol	173.510	ml/mol	McGowan Calculated Property
Inp	[1952.70; 1952.70]
Inp	1952.70		NIST
Inp	1952.70		NIST
Tboil	563.25	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, 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	[252.75; 520.40]	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			2.23410e+01
Coefficient B			1.05266e+00
Coefficient C			-8.43200e-04
Coefficient D			2.88600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	252.75	J/mol×K	273.00	Calculated Property
Cp,gas	301.99	J/mol×K	353.78	Calculated Property
Cp,gas	344.23	J/mol×K	434.56	Calculated Property
Cp,gas	380.38	J/mol×K	515.33	Calculated Property
Cp,gas	411.35	J/mol×K	596.11	Calculated Property
Cp,gas	438.04	J/mol×K	676.89	Calculated Property
Cp,gas	461.39	J/mol×K	757.67	Calculated Property
Cp,gas	482.28	J/mol×K	838.44	Calculated Property
Cp,gas	501.65	J/mol×K	919.22	Calculated Property
Cp,gas	520.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000149; 0.0000021]	Pa×s	[573.40; 686.61]	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			-2.29941e+01
Coefficient B			6.81244e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			573.40
Temperature range, max.			686.61
η	0.0000149	Pa×s	573.40	Calculated Property
η	0.0000116	Pa×s	585.98	Calculated Property
η	0.0000091	Pa×s	598.56	Calculated Property
η	0.0000072	Pa×s	611.14	Calculated Property
η	0.0000057	Pa×s	623.72	Calculated Property
η	0.0000046	Pa×s	636.29	Calculated Property
η	0.0000037	Pa×s	648.87	Calculated Property
η	0.0000031	Pa×s	661.45	Calculated Property
η	0.0000025	Pa×s	674.03	Calculated Property
η	0.0000021	Pa×s	686.61	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl chloroatrarate.

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

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.
These property values are available through the Cheméo API. A free account gives you an access key.