Chemical Properties of 3-Chloropropionic acid, pentyl ester (CAS 74306-03-9)

InChI

InChI=1S/C8H15ClO2/c1-2-3-4-7-11-8(10)5-6-9/h2-7H2,1H3

InChI Key

VSUKVMJYRSUJJS-UHFFFAOYSA-N

Formula

C8H15ClO2

SMILES

CCCCCOC(=O)CCCl

Molecular Weight¹

178.66

CAS

74306-03-9

Other Names

• Propanoic acid, 3-chloro, pentyl ester
• Pentyl 3-chloropropanoate

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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.
• I : 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
ΔfG°	-229.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-468.99	kJ/mol	Joback Calculated Property
ΔfusH°	23.46	kJ/mol	Joback Calculated Property
ΔvapH°	46.94	kJ/mol	Joback Calculated Property
log10WS	-2.19		Crippen Calculated Property
logPoct/wat	2.349		Crippen Calculated Property
McVol	143.260	ml/mol	McGowan Calculated Property
Pc	2558.51	kPa	Joback Calculated Property
Inp	[1185.00; 1201.00]
Inp	1190.00		NIST
Inp	1189.00		NIST
Inp	1188.00		NIST
Inp	1188.00		NIST
Inp	1192.00		NIST
Inp	1185.00		NIST
Inp	Outlier 1201.00		NIST
Inp	1192.00		NIST
Inp	1196.00		NIST
Inp	1193.00		NIST
I	[1636.00; 1701.00]
I	1651.00		NIST
I	1636.00		NIST
I	1676.00		NIST
I	1679.00		NIST
I	1680.00		NIST
I	1701.00		NIST
I	1654.00		NIST
I	1639.00		NIST
Tboil	496.16	K	Joback Calculated Property
Tc	677.00	K	Joback Calculated Property
Tfus	282.00	K	Joback Calculated Property
Vc	0.556	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[307.66; 371.92]	J/mol×K	[496.16; 677.00]
Cp,gas	307.66	J/mol×K	496.16	Joback Calculated Property
Cp,gas	319.52	J/mol×K	526.30	Joback Calculated Property
Cp,gas	330.91	J/mol×K	556.44	Joback Calculated Property
Cp,gas	341.84	J/mol×K	586.58	Joback Calculated Property
Cp,gas	352.32	J/mol×K	616.72	Joback Calculated Property
Cp,gas	362.34	J/mol×K	646.86	Joback Calculated Property
Cp,gas	371.92	J/mol×K	677.00	Joback Calculated Property
η	[0.0002618; 0.0030458]	Pa×s	[282.00; 496.16]
η	0.0030458	Pa×s	282.00	Joback Calculated Property
η	0.0016080	Pa×s	317.69	Joback Calculated Property
η	0.0009658	Pa×s	353.39	Joback Calculated Property
η	0.0006370	Pa×s	389.08	Joback Calculated Property
η	0.0004506	Pa×s	424.77	Joback Calculated Property
η	0.0003363	Pa×s	460.47	Joback Calculated Property
η	0.0002618	Pa×s	496.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloropropionic acid, pentyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.