Chemical Properties of Diethylmalonic acid, 4-chlorophenyl heptyl ester

InChI

InChI=1S/C20H29ClO4/c1-4-7-8-9-10-15-24-18(22)20(5-2,6-3)19(23)25-17-13-11-16(21)12-14-17/h11-14H,4-10,15H2,1-3H3

InChI Key

FLEAAOWLIIVBJE-UHFFFAOYSA-N

Formula

C20H29ClO4

SMILES

CCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(Cl)cc1

Molecular Weight¹

368.89

• 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.
• 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	0.8812		Relay (1.0) Calculated Property
ΔfG°	-256.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-846.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.56	kJ/mol	Joback Calculated Property
ΔvapH°	103.67	kJ/mol	Relay (1.0) Calculated Property
IE	8.45	eV	Relay (1.0) Calculated Property
log10WS	-5.87		Relay (1.0) Calculated Property
logPoct/wat	5.565		Crippen Calculated Property
McVol	296.020	ml/mol	McGowan Calculated Property
Pc	1324.24	kPa	Joback Calculated Property
Inp	[2315.00; 2315.00]
Inp	2315.00		NIST
Inp	2315.00		NIST
Tboil	636.69	K	Relay (1.0) Calculated Property
Tc	850.10	K	Relay (1.0) Calculated Property
Tfus	312.50	K	Relay (1.0) Calculated Property
Vc	1.058	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[905.75; 980.01]	J/mol×K	[875.44; 1085.28]
Cp,gas	905.75	J/mol×K	875.44	Joback Calculated Property
Cp,gas	920.83	J/mol×K	910.41	Joback Calculated Property
Cp,gas	934.77	J/mol×K	945.39	Joback Calculated Property
Cp,gas	947.61	J/mol×K	980.36	Joback Calculated Property
Cp,gas	959.40	J/mol×K	1015.34	Joback Calculated Property
Cp,gas	970.18	J/mol×K	1050.31	Joback Calculated Property
Cp,gas	980.01	J/mol×K	1085.28	Joback Calculated Property
η	[0.0000369; 0.0004349]	Pa×s	[530.76; 875.44]
η	0.0004349	Pa×s	530.76	Joback Calculated Property
η	0.0002359	Pa×s	588.21	Joback Calculated Property
η	0.0001427	Pa×s	645.65	Joback Calculated Property
η	0.0000937	Pa×s	703.10	Joback Calculated Property
η	0.0000656	Pa×s	760.55	Joback Calculated Property
η	0.0000482	Pa×s	817.99	Joback Calculated Property
η	0.0000369	Pa×s	875.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 4-chlorophenyl heptyl ester.

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.