Chemical Properties of Benzaldehyde, 3-chloro- (CAS 587-04-2)

InChI

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

InChI Key

SRWILAKSARHZPR-UHFFFAOYSA-N

Formula

C7H5ClO

SMILES

O=Cc1cccc(Cl)c1

Molecular Weight¹

140.57

CAS

587-04-2

Other Names

• Benzaldehyde, m-chloro-
• m-Chlorobenzaldehyde
• meta-Chlorobenzaldehyde
• 3-Chlorobenzaldehyde

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• EA : Electron affinity (eV).
• 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).
• 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
PAff	813.00	kJ/mol	NIST
BasG	781.10	kJ/mol	NIST
ΔcH°liquid	[-3366.90; -3365.00]	kJ/mol
ΔcH°liquid	-3365.00	kJ/mol	NIST
ΔcH°liquid	-3366.90 ± 8.40	kJ/mol	NIST
EA	[0.67; 0.71]	eV
EA	0.67 ± 0.09	eV	NIST
EA	0.71 ± 0.09	eV	NIST
ΔfG°	-0.61	kJ/mol	Joback Calculated Property
ΔfH°gas	-64.07	kJ/mol	Joback Calculated Property
ΔfH°liquid	-105.00	kJ/mol	NIST
ΔfusH°	14.02	kJ/mol	Joback Calculated Property
ΔvapH°	45.22	kJ/mol	Joback Calculated Property
log10WS	-2.40		Crippen 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	[1102.00; 1118.90]
Inp	1108.40		NIST
Inp	1118.90		NIST
Inp	1102.00		NIST
Tboil	486.70	K	NIST
Tc	704.10	K	Joback Calculated Property
Tfus	279.51	K	Joback Calculated Property
Vc	0.386	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[177.88; 223.42]	J/mol×K	[477.31; 704.10]
Cp,gas	177.88	J/mol×K	477.31	Joback Calculated Property
Cp,gas	186.90	J/mol×K	515.11	Joback Calculated Property
Cp,gas	195.31	J/mol×K	552.91	Joback Calculated Property
Cp,gas	203.14	J/mol×K	590.70	Joback Calculated Property
Cp,gas	210.42	J/mol×K	628.50	Joback Calculated Property
Cp,gas	217.17	J/mol×K	666.30	Joback Calculated Property
Cp,gas	223.42	J/mol×K	704.10	Joback Calculated Property
η	[0.0003318; 0.0023338]	Pa×s	[279.51; 477.31]
η	0.0023338	Pa×s	279.51	Joback Calculated Property
η	0.0014204	Pa×s	312.48	Joback Calculated Property
η	0.0009504	Pa×s	345.44	Joback Calculated Property
η	0.0006820	Pa×s	378.41	Joback Calculated Property
η	0.0005162	Pa×s	411.38	Joback Calculated Property
η	0.0004071	Pa×s	444.34	Joback Calculated Property
η	0.0003318	Pa×s	477.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzaldehyde, 3-chloro-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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