Chemical Properties of Carbonochloridic acid, pentyl ester (CAS 638-41-5)

InChI

InChI=1S/C6H11ClO2/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3

InChI Key

XHRRYUDVWPPWIP-UHFFFAOYSA-N

Formula

C6H11ClO2

SMILES

CCCCCOC(=O)Cl

Molecular Weight¹

150.60

CAS

638-41-5

Other Names

• Formic acid, chloro-, pentyl ester
• Amyl chloroformate
• Chloroformic acid amyl ester
• Pentyl chloroformate

• 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

Property	Value	Unit	Source
ω	0.4964		Relay (1.0) Calculated Property
ΔfH°gas	-493.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.86	kJ/mol	Joback Calculated Property
ΔvapH°	42.29	kJ/mol	Relay (1.0) Calculated Property
IE	10.65	eV	Relay (1.0) Calculated Property
log10WS	-2.92		Relay (1.0) Calculated Property
logPoct/wat	2.552		Crippen Calculated Property
McVol	115.080	ml/mol	McGowan Calculated Property
Pc	2999.15	kPa	Joback Calculated Property
Inp	[926.00; 926.00]
Inp	926.00		NIST
Inp	926.00		NIST
Tboil	424.13	K	Relay (1.0) Calculated Property
Tc	583.62	K	Relay (1.0) Calculated Property
Tfus	178.32	K	Relay (1.0) Calculated Property
Vc	0.436	m3/kmol	Relay (1.0) Calculated Property

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	[162.51; 345.25]	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			3.57340e+01
Coefficient B			5.25820e-01
Coefficient C			-2.28400e-04
Coefficient D			1.21000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	162.51	J/mol×K	273.00	Calculated Property
Cp,gas	193.71	J/mol×K	353.78	Calculated Property
Cp,gas	222.09	J/mol×K	434.56	Calculated Property
Cp,gas	247.71	J/mol×K	515.33	Calculated Property
Cp,gas	270.58	J/mol×K	596.11	Calculated Property
Cp,gas	290.76	J/mol×K	676.89	Calculated Property
Cp,gas	308.28	J/mol×K	757.67	Calculated Property
Cp,gas	323.17	J/mol×K	838.44	Calculated Property
Cp,gas	335.49	J/mol×K	919.22	Calculated Property
Cp,gas	345.25	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0053702; 0.0002925]	Pa×s	[229.63; 429.39]	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			-1.14823e+01
Coefficient B			1.43644e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			229.63
Temperature range, max.			429.39
η	0.0053702	Pa×s	229.63	Calculated Property
η	0.0030942	Pa×s	251.83	Calculated Property
η	0.0019493	Pa×s	274.02	Calculated Property
η	0.0013161	Pa×s	296.22	Calculated Property
η	0.0009386	Pa×s	318.41	Calculated Property
η	0.0006996	Pa×s	340.61	Calculated Property
η	0.0005405	Pa×s	362.80	Calculated Property
η	0.0004302	Pa×s	385.00	Calculated Property
η	0.0003510	Pa×s	407.20	Calculated Property
η	0.0002925	Pa×s	429.39	Calculated Property

Similar Compounds

Find more compounds similar to Carbonochloridic acid, pentyl ester.

Sources

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

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