Chemical Properties of 3-Chloro-1-propanol

InChI

InChI=1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2

InChI Key

LAMUXTNQCICZQX-UHFFFAOYSA-N

Formula

C3H7ClO

SMILES

OCCCCl

Molecular Weight¹

94.54

Other Names

• 1-Chloro-3-hydroxypropane
• 1-Chloro-3-propanol
• 1-Propanol, 3-chloro-
• 3-Chloro-1-hydroxypropane
• 3-Chloropropane-1-ol
• 3-Chloropropanol
• 3-Chloropropanol-1
• 3-Chlorpropan-1-ol
• 3-chloropropan-1-ol
• NSC 60190
• Propanol, 3-chloro-
• Trimethylene chlorohydrin
• UN 2849

• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.5887		Relay (1.0) Calculated Property
ΔfH°gas	-300.75	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.81	kJ/mol	Joback Calculated Property
ΔvapH°	59.04	kJ/mol	Relay (1.0) Calculated Property
IE	[10.35; 10.70]	eV
IE	10.35	eV	NIST
IE	10.70	eV	NIST
log10WS	0.35		Relay (1.0) Calculated Property
logPoct/wat	0.608		Crippen Calculated Property
McVol	71.240	ml/mol	McGowan Calculated Property
Pc	4749.69	kPa	Joback Calculated Property
Tboil	[434.00; 434.20]	K
Tboil	434.20	K	NIST
Tboil	434.00 ± 1.00	K	NIST
Tc	662.88	K	Relay (1.0) Calculated Property
Tfus	253.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.248	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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[95.03; 201.04]	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			1.83430e+01
Coefficient B			3.29600e-01
Coefficient C			-1.90200e-04
Coefficient D			4.33000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	95.03	J/mol×K	273.00	Calculated Property
Cp,gas	113.06	J/mol×K	353.78	Calculated Property
Cp,gas	129.21	J/mol×K	434.56	Calculated Property
Cp,gas	143.61	J/mol×K	515.33	Calculated Property
Cp,gas	156.41	J/mol×K	596.11	Calculated Property
Cp,gas	167.73	J/mol×K	676.89	Calculated Property
Cp,gas	177.72	J/mol×K	757.67	Calculated Property
Cp,gas	186.51	J/mol×K	838.44	Calculated Property
Cp,gas	194.24	J/mol×K	919.22	Calculated Property
Cp,gas	201.04	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0134433; 0.0003804]	Pa×s	[253.15; 397.63]	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			-1.41210e+01
Coefficient B			2.48383e+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.			253.15
Temperature range, max.			397.63
η	0.0134433	Pa×s	253.15	Calculated Property
η	0.0074886	Pa×s	269.20	Calculated Property
η	0.0044555	Pa×s	285.26	Calculated Property
η	0.0028017	Pa×s	301.31	Calculated Property
η	0.0018464	Pa×s	317.36	Calculated Property
η	0.0012667	Pa×s	333.42	Calculated Property
η	0.0008996	Pa×s	349.47	Calculated Property
η	0.0006584	Pa×s	365.52	Calculated Property
η	0.0004947	Pa×s	381.58	Calculated Property
η	0.0003804	Pa×s	397.63	Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloro-1-propanol.

Mixtures

• Glycine + 3-Chloro-1-propanol
• D-Alanine + 3-Chloro-1-propanol
• D-Valine + 3-Chloro-1-propanol
• D-Leucine + 3-Chloro-1-propanol
• Glycine + Water + 3-Chloro-1-propanol
• D-Alanine + Water + 3-Chloro-1-propanol
• D-Valine + Water + 3-Chloro-1-propanol
• D-Leucine + Water + 3-Chloro-1-propanol
• Water + 3-Chloro-1-propanol + Glycine, N-(carboxymethyl)-
• Water + 3-Chloro-1-propanol + N-(N-Glycylglycyl)glycine

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Interaction of some hydrophobic amino acids, peptides, and protein with aqueous 3-chloro-1,2-propanediol and 3-chloro-1-propanol: Biophysical studies
• Joback Method
• McGowan Method
• NIST Webbook

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