Chemical Properties of Benzaldehyde, 2-chloro- (CAS 89-98-5)

InChI

InChI=1S/C7H5ClO/c8-7-4-2-1-3-6(7)5-9/h1-5H

InChI Key

FPYUJUBAXZAQNL-UHFFFAOYSA-N

Formula

C7H5ClO

SMILES

O=Cc1ccccc1Cl

Molecular Weight¹

140.57

CAS

89-98-5

Other Names

• 2-Chlorbenzaldehyd
• 2-Chlorobenzaldehyde
• 2-Clorobenzaldeide
• Benzaldehyde, o-chloro-
• NSC 15347
• USAF M-7
• o-Chloorbenzaldehyde
• o-Chlorobenzaldehyde
• o-Chlorobenzenecarboxaldehyde
• o-Chloroformylbenzene

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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	0.3751		Relay (1.0) Calculated Property
ΔcH°liquid	[-3374.40; -3372.00]	kJ/mol
ΔcH°liquid	-3372.00	kJ/mol	NIST
ΔcH°liquid	-3374.40 ± 8.40	kJ/mol	NIST
ΔfG°	-0.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-85.93	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-98.00	kJ/mol	NIST
ΔfusH°	14.02	kJ/mol	Joback Calculated Property
ΔvapH°	55.61	kJ/mol	Relay (1.0) Calculated Property
IE	9.46	eV	Relay (1.0) Calculated Property
log10WS	-1.87		Relay (1.0) Calculated Property
logPoct/wat	2.152		Crippen Calculated Property
McVol	99.540	ml/mol	McGowan Calculated Property
Pc	4233.04	kPa	Joback Calculated Property
Inp	[1105.00; 1131.00]
Inp	1112.70		NIST
Inp	1122.40		NIST
Inp	1131.00		NIST
Inp	1106.00		NIST
Inp	1105.00		NIST
Inp	1131.00		NIST
Inp	1112.70		NIST
Tboil	[485.10; 485.19]	K
Tboil	485.10	K	NIST
Tboil	485.19 ± 0.07	K	NIST
Tc	756.59	K	Relay (1.0) Calculated Property
Tfus	[284.80; 285.30]	K
Tfus	285.30 ± 0.02	K	NIST
Tfus	284.80 ± 0.05	K	NIST
Vc	0.358	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[117.59; 257.95]	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			1.21000e+00
Coefficient B			5.11700e-01
Coefficient C			-3.34560e-04
Coefficient D			7.96000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	117.59	J/mol×K	273.00	Calculated Property
Cp,gas	143.89	J/mol×K	353.78	Calculated Property
Cp,gas	166.93	J/mol×K	434.56	Calculated Property
Cp,gas	186.95	J/mol×K	515.33	Calculated Property
Cp,gas	204.22	J/mol×K	596.11	Calculated Property
Cp,gas	218.97	J/mol×K	676.89	Calculated Property
Cp,gas	231.47	J/mol×K	757.67	Calculated Property
Cp,gas	241.97	J/mol×K	838.44	Calculated Property
Cp,gas	250.71	J/mol×K	919.22	Calculated Property
Cp,gas	257.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021298; 0.0003038]	Pa×s	[285.05; 493.08]	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			-1.07673e+01
Coefficient B			1.31567e+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.			285.05
Temperature range, max.			493.08
η	0.0021298	Pa×s	285.05	Calculated Property
η	0.0015066	Pa×s	308.16	Calculated Property
η	0.0011185	Pa×s	331.28	Calculated Property
η	0.0008632	Pa×s	354.39	Calculated Property
η	0.0006877	Pa×s	377.51	Calculated Property
η	0.0005624	Pa×s	400.62	Calculated Property
η	0.0004702	Pa×s	423.73	Calculated Property
η	0.0004004	Pa×s	446.85	Calculated Property
η	0.0003464	Pa×s	469.96	Calculated Property
η	0.0003038	Pa×s	493.08	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[361.64; 484.76]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.70426e+01
Coefficient B			-4.81693e+03
Coefficient C			-7.41500e+01
Temperature range, min.			361.64
Temperature range, max.			484.76
Pvap	1.33	kPa	361.64	Calculated Property
Pvap	2.85	kPa	375.32	Calculated Property
Pvap	5.72	kPa	389.00	Calculated Property
Pvap	10.81	kPa	402.68	Calculated Property
Pvap	19.43	kPa	416.36	Calculated Property
Pvap	33.37	kPa	430.04	Calculated Property
Pvap	55.08	kPa	443.72	Calculated Property
Pvap	87.70	kPa	457.40	Calculated Property
Pvap	135.25	kPa	471.08	Calculated Property
Pvap	202.64	kPa	484.76	Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, 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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