Chemical Properties of 3-Chloropropionic acid, hexyl ester (CAS 63505-49-7)

InChI

InChI=1S/C9H17ClO2/c1-2-3-4-5-8-12-9(11)6-7-10/h2-8H2,1H3

InChI Key

PYOAHWWMEFRKLM-UHFFFAOYSA-N

Formula

C9H17ClO2

SMILES

CCCCCCOC(=O)CCCl

Molecular Weight¹

192.68

CAS

63505-49-7

Other Names

• Propanoic acid, 3-chloro, hexyl ester
• Hexyl 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°	-220.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-489.63	kJ/mol	Joback Calculated Property
ΔfusH°	26.05	kJ/mol	Joback Calculated Property
ΔvapH°	49.17	kJ/mol	Joback Calculated Property
log10WS	-2.61		Crippen Calculated Property
logPoct/wat	2.739		Crippen Calculated Property
McVol	157.350	ml/mol	McGowan Calculated Property
Pc	2327.03	kPa	Joback Calculated Property
Inp	[1279.00; 1304.00]
Inp	1288.00		NIST
Inp	1287.00		NIST
Inp	1292.00		NIST
Inp	1290.00		NIST
Inp	1293.00		NIST
Inp	1293.00		NIST
Inp	Outlier 1279.00		NIST
Inp	1300.00		NIST
Inp	1287.00		NIST
Inp	1294.00		NIST
Inp	Outlier 1304.00		NIST
Inp	1293.00		NIST
I	[1732.00; 1812.00]
I	1749.00		NIST
I	1732.00		NIST
I	1773.00		NIST
I	1777.00		NIST
I	1777.00		NIST
I	1794.00		NIST
I	1812.00		NIST
I	1735.00		NIST
Tboil	519.04	K	Joback Calculated Property
Tc	698.13	K	Joback Calculated Property
Tfus	293.27	K	Joback Calculated Property
Vc	0.613	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[352.11; 421.32]	J/mol×K	[519.04; 698.13]
Cp,gas	352.11	J/mol×K	519.04	Joback Calculated Property
Cp,gas	364.91	J/mol×K	548.89	Joback Calculated Property
Cp,gas	377.20	J/mol×K	578.74	Joback Calculated Property
Cp,gas	388.97	J/mol×K	608.58	Joback Calculated Property
Cp,gas	400.25	J/mol×K	638.43	Joback Calculated Property
Cp,gas	411.03	J/mol×K	668.28	Joback Calculated Property
Cp,gas	421.32	J/mol×K	698.13	Joback Calculated Property
η	[0.0002406; 0.0029830]	Pa×s	[293.27; 519.04]
η	0.0029830	Pa×s	293.27	Joback Calculated Property
η	0.0015445	Pa×s	330.90	Joback Calculated Property
η	0.0009148	Pa×s	368.53	Joback Calculated Property
η	0.0005970	Pa×s	406.15	Joback Calculated Property
η	0.0004189	Pa×s	443.78	Joback Calculated Property
η	0.0003106	Pa×s	481.41	Joback Calculated Property
η	0.0002406	Pa×s	519.04	Joback Calculated Property

Similar Compounds

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

Sources

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