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

InChI

InChI=1S/C28H42O4/c1-4-5-6-7-8-9-16-21-31-26(29)28(2,3)27(30)32-25(24-19-14-11-15-20-24)22-23-17-12-10-13-18-23/h11-12,14-15,17,19-20,23,25H,4-10,13,16,18,21-22H2,1-3H3

InChI Key

RCLYKKHXFZUHCL-UHFFFAOYSA-N

Formula

C28H42O4

SMILES

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

Molecular Weight¹

442.63

• 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°	-115.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-776.25	kJ/mol	Joback Calculated Property
ΔfusH°	50.01	kJ/mol	Joback Calculated Property
ΔvapH°	97.55	kJ/mol	Joback Calculated Property
log10WS	-8.10		Crippen Calculated Property
logPoct/wat	7.337		Crippen Calculated Property
McVol	381.340	ml/mol	McGowan Calculated Property
Pc	967.47	kPa	Joback Calculated Property
Inp	[2873.00; 2873.00]
Inp	2873.00		NIST
Inp	2873.00		NIST
Tboil	1034.34	K	Joback Calculated Property
Tc	1267.18	K	Joback Calculated Property
Tfus	571.62	K	Joback Calculated Property
Vc	1.446	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1332.18; 1409.17]	J/mol×K	[1034.34; 1267.18]
Cp,gas	1332.18	J/mol×K	1034.34	Joback Calculated Property
Cp,gas	1348.66	J/mol×K	1073.15	Joback Calculated Property
Cp,gas	1363.54	J/mol×K	1111.95	Joback Calculated Property
Cp,gas	1376.93	J/mol×K	1150.76	Joback Calculated Property
Cp,gas	1388.92	J/mol×K	1189.57	Joback Calculated Property
Cp,gas	1399.63	J/mol×K	1228.37	Joback Calculated Property
Cp,gas	1409.17	J/mol×K	1267.18	Joback Calculated Property
η	[0.0000125; 0.0002913]	Pa×s	[571.62; 1034.34]
η	0.0002913	Pa×s	571.62	Joback Calculated Property
η	0.0001262	Pa×s	648.74	Joback Calculated Property
η	0.0000653	Pa×s	725.86	Joback Calculated Property
η	0.0000383	Pa×s	802.98	Joback Calculated Property
η	0.0000247	Pa×s	880.10	Joback Calculated Property
η	0.0000171	Pa×s	957.22	Joback Calculated Property
η	0.0000125	Pa×s	1034.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, nonyl 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.