Chemical Properties of (E)-But-2-enyl 3-chlorobenzoate

InChI

InChI=1S/C11H11ClO2/c1-2-3-7-14-11(13)9-5-4-6-10(12)8-9/h2-6,8H,7H2,1H3/b3-2+

InChI Key

YSMHCWQQKGGAQR-NSCUHMNNSA-N

Formula

C11H11ClO2

SMILES

CC=CCOC(=O)c1cccc(Cl)c1

Molecular Weight¹

210.66

Other Names

• Benzoic acid, 3-chloro, (E)-2-butenyl ester

• 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.
• I : 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	0.5178		Relay (1.0) Calculated Property
ΔfG°	-21.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-289.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.08	kJ/mol	Joback Calculated Property
ΔvapH°	72.06	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	-4.01		Relay (1.0) Calculated Property
logPoct/wat	3.073		Crippen Calculated Property
McVol	157.470	ml/mol	McGowan Calculated Property
Pc	2778.85	kPa	Joback Calculated Property
Inp	[1519.00; 1564.00]
Inp	1521.00		NIST
Inp	1530.00		NIST
Inp	1536.00		NIST
Inp	Outlier 1564.00		NIST
Inp	1533.00		NIST
Inp	1519.00		NIST
Inp	1528.00		NIST
I	[2133.00; 2174.00]
I	2133.00		NIST
I	2152.00		NIST
I	2172.00		NIST
I	2174.00		NIST
I	2147.00		NIST
I	2158.00		NIST
Tboil	543.97	K	Relay (1.0) Calculated Property
Tc	753.90	K	Relay (1.0) Calculated Property
Tfus	265.90	K	Relay (1.0) Calculated Property
Vc	0.551	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[352.29; 416.70]	J/mol×K	[600.62; 824.35]
Cp,gas	352.29	J/mol×K	600.62	Joback Calculated Property
Cp,gas	364.97	J/mol×K	637.91	Joback Calculated Property
Cp,gas	376.83	J/mol×K	675.20	Joback Calculated Property
Cp,gas	387.90	J/mol×K	712.49	Joback Calculated Property
Cp,gas	398.21	J/mol×K	749.77	Joback Calculated Property
Cp,gas	407.80	J/mol×K	787.06	Joback Calculated Property
Cp,gas	416.70	J/mol×K	824.35	Joback Calculated Property
η	[0.0001637; 0.0014831]	Pa×s	[349.67; 600.62]
η	0.0014831	Pa×s	349.67	Joback Calculated Property
η	0.0008442	Pa×s	391.50	Joback Calculated Property
η	0.0005358	Pa×s	433.32	Joback Calculated Property
η	0.0003684	Pa×s	475.14	Joback Calculated Property
η	0.0002691	Pa×s	516.97	Joback Calculated Property
η	0.0002060	Pa×s	558.79	Joback Calculated Property
η	0.0001637	Pa×s	600.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-But-2-enyl 3-chlorobenzoate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.