Chemical Properties of Dichlorphen, O-isovaleryl-

InChI

InChI=1S/C18H18Cl2O3/c1-11(2)7-18(22)23-17-6-4-15(20)10-13(17)8-12-9-14(19)3-5-16(12)21/h3-6,9-11,21H,7-8H2,1-2H3

InChI Key

HQWCCOALJIAXON-UHFFFAOYSA-N

Formula

C18H18Cl2O3

SMILES

CC(C)CC(=O)Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O

Molecular Weight¹

353.24

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.31	kJ/mol	Joback Calculated Property
log10WS	-5.35		Relay (1.0) Calculated Property
logPoct/wat	5.241		Crippen Calculated Property
McVol	254.750	ml/mol	McGowan Calculated Property
Inp	[2666.00; 2666.00]
Inp	2666.00		NIST
Inp	2666.00		NIST
Tfus	364.18	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[717.80; 782.71]	J/mol×K	[893.00; 1134.37]
Cp,gas	717.80	J/mol×K	893.00	Joback Calculated Property
Cp,gas	730.36	J/mol×K	933.23	Joback Calculated Property
Cp,gas	742.08	J/mol×K	973.46	Joback Calculated Property
Cp,gas	753.06	J/mol×K	1013.68	Joback Calculated Property
Cp,gas	763.43	J/mol×K	1053.91	Joback Calculated Property
Cp,gas	773.27	J/mol×K	1094.14	Joback Calculated Property
Cp,gas	782.71	J/mol×K	1134.37	Joback Calculated Property
η	[0.0000027; 0.0000617]	Pa×s	[581.91; 893.00]
η	0.0000617	Pa×s	581.91	Joback Calculated Property
η	0.0000297	Pa×s	633.76	Joback Calculated Property
η	0.0000160	Pa×s	685.61	Joback Calculated Property
η	0.0000094	Pa×s	737.46	Joback Calculated Property
η	0.0000059	Pa×s	789.30	Joback Calculated Property
η	0.0000039	Pa×s	841.15	Joback Calculated Property
η	0.0000027	Pa×s	893.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dichlorphen, O-isovaleryl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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