Chemical Properties of 1-Chloro-2-methylpropyl chloroformate (CAS 92600-11-8)

InChI

InChI=1S/C5H8Cl2O2/c1-3(2)4(6)9-5(7)8/h3-4H,1-2H3

InChI Key

BOGLZTPABVHWDD-UHFFFAOYSA-N

Formula

C5H8Cl2O2

SMILES

CC(C)C(Cl)OC(=O)Cl

Molecular Weight¹

171.02

CAS

92600-11-8

Other Names

• Carbonochloridic acid, 1-chloro-2-methylpropyl ester

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.42	kJ/mol	Joback Calculated Property
logPoct/wat	2.583		Crippen Calculated Property
McVol	113.230	ml/mol	McGowan Calculated Property
Inp	[910.00; 910.00]
Inp	910.00		NIST
Inp	910.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[154.07; 303.01]	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			4.61700e+01
Coefficient B			4.49440e-01
Coefficient C			-2.00800e-04
Coefficient D			8.20000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	154.07	J/mol×K	273.00	Calculated Property
Cp,gas	180.40	J/mol×K	353.78	Calculated Property
Cp,gas	204.23	J/mol×K	434.56	Calculated Property
Cp,gas	225.58	J/mol×K	515.33	Calculated Property
Cp,gas	244.47	J/mol×K	596.11	Calculated Property
Cp,gas	260.93	J/mol×K	676.89	Calculated Property
Cp,gas	274.99	J/mol×K	757.67	Calculated Property
Cp,gas	286.67	J/mol×K	838.44	Calculated Property
Cp,gas	296.00	J/mol×K	919.22	Calculated Property
Cp,gas	303.01	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0118259; 0.0002763]	Pa×s	[218.28; 450.95]	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			-1.17182e+01
Coefficient B			1.58924e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			218.28
Temperature range, max.			450.95
η	0.0118259	Pa×s	218.28	Calculated Property
η	0.0054701	Pa×s	244.13	Calculated Property
η	0.0029328	Pa×s	269.99	Calculated Property
η	0.0017534	Pa×s	295.84	Calculated Property
η	0.0011386	Pa×s	321.69	Calculated Property
η	0.0007885	Pa×s	347.54	Calculated Property
η	0.0005745	Pa×s	373.40	Calculated Property
η	0.0004361	Pa×s	399.25	Calculated Property
η	0.0003423	Pa×s	425.10	Calculated Property
η	0.0002763	Pa×s	450.95	Calculated Property

Similar Compounds

Find more compounds similar to 1-Chloro-2-methylpropyl chloroformate.

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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