Chemical Properties of Dimethylmalonic acid, di(1-phenyl-2-(cyclohex-2-enyl)ethyl) ester

InChI

InChI=1S/C33H40O4/c1-33(2,31(34)36-29(27-19-11-5-12-20-27)23-25-15-7-3-8-16-25)32(35)37-30(28-21-13-6-14-22-28)24-26-17-9-4-10-18-26/h5-7,9,11-15,17,19-22,25-26,29-30H,3-4,8,10,16,18,23-24H2,1-2H3

InChI Key

CBHUXZAKRXLXKL-UHFFFAOYSA-N

Formula

C33H40O4

SMILES

CC(C)(C(=O)OC(CC1C=CCCC1)c1ccccc1)C(=O)OC(CC1C=CCCC1)c1ccccc1

Molecular Weight¹

500.67

• 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).
• 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
ΔfG°	90.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-536.10	kJ/mol	Joback Calculated Property
ΔfusH°	46.54	kJ/mol	Joback Calculated Property
ΔvapH°	111.29	kJ/mol	Joback Calculated Property
log10WS	-9.26		Crippen Calculated Property
logPoct/wat	8.074		Crippen Calculated Property
McVol	412.870	ml/mol	McGowan Calculated Property
Pc	1030.59	kPa	Joback Calculated Property
Inp	[3400.00; 3400.00]
Inp	3400.00		NIST
Inp	3400.00		NIST
Tboil	1193.69	K	Joback Calculated Property
Tc	1464.22	K	Joback Calculated Property
Tfus	647.53	K	Joback Calculated Property
Vc	1.530	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1484.22; 1536.04]	J/mol×K	[1193.69; 1464.22]
Cp,gas	1484.22	J/mol×K	1193.69	Joback Calculated Property
Cp,gas	1496.09	J/mol×K	1238.78	Joback Calculated Property
Cp,gas	1506.36	J/mol×K	1283.87	Joback Calculated Property
Cp,gas	1515.28	J/mol×K	1328.96	Joback Calculated Property
Cp,gas	1523.04	J/mol×K	1374.05	Joback Calculated Property
Cp,gas	1529.89	J/mol×K	1419.13	Joback Calculated Property
Cp,gas	1536.04	J/mol×K	1464.22	Joback Calculated Property
η	[0.0000058; 0.0001495]	Pa×s	[647.53; 1193.69]
η	0.0001495	Pa×s	647.53	Joback Calculated Property
η	0.0000624	Pa×s	738.56	Joback Calculated Property
η	0.0000315	Pa×s	829.58	Joback Calculated Property
η	0.0000182	Pa×s	920.61	Joback Calculated Property
η	0.0000116	Pa×s	1011.64	Joback Calculated Property
η	0.0000080	Pa×s	1102.66	Joback Calculated Property
η	0.0000058	Pa×s	1193.69	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, di(1-phenyl-2-(cyclohex-2-enyl)ethyl) ester.

Sources

• 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.