Chemical Properties of 1-PROPANOL, 2-CHLORO- (CAS 78-89-7)

InChI

InChI=1S/C3H7ClO/c1-3(4)2-5/h3,5H,2H2,1H3

InChI Key

VZIQXGLTRZLBEX-UHFFFAOYSA-N

Formula

C3H7ClO

SMILES

CC(Cl)CO

Molecular Weight¹

94.54

CAS

78-89-7

Other Names

• 1-Hydroxy-2-chloropropane
• 2-Chloro-1-propanol
• 2-Chloropropanol
• 2-Chloropropyl alcohol
• 2-chloropropan-1-ol
• Propylene chlorohydrin
• UN 2611
• «beta»-Chloropropyl alcohol

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor 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	0.5500		Relay (1.0) Calculated Property
ΔfG°	-176.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-319.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	8.29	kJ/mol	Joback Calculated Property
ΔvapH°	55.64	kJ/mol	Relay (1.0) Calculated Property
IE	10.83	eV	Relay (1.0) Calculated Property
log10WS	0.29		Relay (1.0) Calculated Property
logPoct/wat	0.606		Crippen Calculated Property
McVol	71.240	ml/mol	McGowan Calculated Property
Pc	4802.50	kPa	Joback Calculated Property
Inp	[805.00; 805.00]
Inp	805.00		NIST
Inp	805.00		NIST
Tboil	399.34	K	Relay (1.0) Calculated Property
Tc	624.12	K	Relay (1.0) Calculated Property
Tfus	203.02	K	Relay (1.0) Calculated Property
Vc	0.240	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[94.71; 201.58]	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			1.66610e+01
Coefficient B			3.35520e-01
Coefficient C			-1.93400e-04
Coefficient D			4.28000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	94.71	J/mol×K	273.00	Calculated Property
Cp,gas	113.05	J/mol×K	353.78	Calculated Property
Cp,gas	129.45	J/mol×K	434.56	Calculated Property
Cp,gas	144.06	J/mol×K	515.33	Calculated Property
Cp,gas	157.01	J/mol×K	596.11	Calculated Property
Cp,gas	168.43	J/mol×K	676.89	Calculated Property
Cp,gas	178.47	J/mol×K	757.67	Calculated Property
Cp,gas	187.24	J/mol×K	838.44	Calculated Property
Cp,gas	194.90	J/mol×K	919.22	Calculated Property
Cp,gas	201.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.2012782; 0.0003520]	Pa×s	[199.31; 400.07]	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			-1.42550e+01
Coefficient B			2.52165e+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.			199.31
Temperature range, max.			400.07
η	0.2012782	Pa×s	199.31	Calculated Property
η	0.0563311	Pa×s	221.62	Calculated Property
η	0.0198999	Pa×s	243.92	Calculated Property
η	0.0083691	Pa×s	266.23	Calculated Property
η	0.0040241	Pa×s	288.53	Calculated Property
η	0.0021493	Pa×s	310.84	Calculated Property
η	0.0012485	Pa×s	333.15	Calculated Property
η	0.0007764	Pa×s	355.45	Calculated Property
η	0.0005107	Pa×s	377.76	Calculated Property
η	0.0003520	Pa×s	400.07	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.89; 202.61]	kPa	[296.15; 377.71]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.58479e+01
Coefficient B			-2.52607e+03
Coefficient C			-1.37968e+02
Temperature range, min.			296.15
Temperature range, max.			377.71
Pvap	0.89	kPa	296.15	Calculated Property
Pvap	2.10	kPa	305.21	Calculated Property
Pvap	4.57	kPa	314.27	Calculated Property
Pvap	9.21	kPa	323.34	Calculated Property
Pvap	17.39	kPa	332.40	Calculated Property
Pvap	31.01	kPa	341.46	Calculated Property
Pvap	52.65	kPa	350.52	Calculated Property
Pvap	85.59	kPa	359.59	Calculated Property
Pvap	133.93	kPa	368.65	Calculated Property
Pvap	202.61	kPa	377.71	Calculated Property

Similar Compounds

Find more compounds similar to 1-PROPANOL, 2-CHLORO-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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