Chemical Properties of 1-Propanol, 3-chloro, propanoate

InChI

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

InChI Key

HSOLEQBYEIZXJH-UHFFFAOYSA-N

Formula

C6H11ClO2

SMILES

CCC(=O)OCCCCl

Molecular Weight¹

150.60

Other Names

• 1-Propanol, 3-chloro, propionate

• ω : Acentric Factor.
• 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).
• 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	0.4958		Relay (1.0) Calculated Property
ΔfG°	-322.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-505.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.86	kJ/mol	Joback Calculated Property
ΔvapH°	50.68	kJ/mol	Relay (1.0) Calculated Property
IE	10.24	eV	Relay (1.0) Calculated Property
log10WS	-1.19		Relay (1.0) Calculated Property
logPoct/wat	1.569		Crippen Calculated Property
McVol	115.080	ml/mol	McGowan Calculated Property
Pc	2999.15	kPa	Joback Calculated Property
Inp	[1016.00; 1016.00]
Inp	1016.00		NIST
Inp	1016.00		NIST
Tboil	447.88	K	Relay (1.0) Calculated Property
Tc	638.86	K	Relay (1.0) Calculated Property
Tfus	201.59	K	Relay (1.0) Calculated Property
Vc	0.430	m3/kmol	Relay (1.0) Calculated Property

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
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 1-Propanol, 3-chloro, propanoate.

Sources

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

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