Chemical Properties of Dichlorophene, O,O'-di(3-methylbut-2-enoyl)-

InChI

InChI=1S/C23H22Cl2O4/c1-14(2)9-22(26)28-20-7-5-18(24)12-16(20)11-17-13-19(25)6-8-21(17)29-23(27)10-15(3)4/h5-10,12-13H,11H2,1-4H3

InChI Key

LVDOXQUBTQZYRA-UHFFFAOYSA-N

Formula

C23H22Cl2O4

SMILES

CC(C)=CC(=O)Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1OC(=O)C=C(C)C

Molecular Weight¹

433.32

Other Names

• Dichlorophen, O,O'-di(3-methylbut-2-enoyl)-

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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.
• 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	0.9172		Relay (1.0) Calculated Property
ΔfG°	-19.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-584.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.60	kJ/mol	Joback Calculated Property
ΔvapH°	123.29	kJ/mol	Relay (1.0) Calculated Property
IE	8.21	eV	Relay (1.0) Calculated Property
log10WS	-7.46		Relay (1.0) Calculated Property
logPoct/wat	6.327		Crippen Calculated Property
McVol	318.170	ml/mol	McGowan Calculated Property
Pc	1379.91	kPa	Joback Calculated Property
Inp	[3021.00; 3021.00]
Inp	3021.00		NIST
Inp	3021.00		NIST
Tboil	691.56	K	Relay (1.0) Calculated Property
Tc	967.72	K	Relay (1.0) Calculated Property
Tfus	385.21	K	Relay (1.0) Calculated Property
Vc	1.111	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[937.22; 992.21]	J/mol×K	[1034.44; 1279.82]
Cp,gas	937.22	J/mol×K	1034.44	Joback Calculated Property
Cp,gas	948.80	J/mol×K	1075.34	Joback Calculated Property
Cp,gas	959.30	J/mol×K	1116.23	Joback Calculated Property
Cp,gas	968.81	J/mol×K	1157.13	Joback Calculated Property
Cp,gas	977.41	J/mol×K	1198.03	Joback Calculated Property
Cp,gas	985.18	J/mol×K	1238.93	Joback Calculated Property
Cp,gas	992.21	J/mol×K	1279.82	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dichlorophene, O,O'-di(3-methylbut-2-enoyl)-.

Sources

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

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