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

InChI

InChI=1S/C32H50O4/c1-4-5-6-7-8-9-10-11-12-13-20-25-35-30(33)32(2,3)31(34)36-29(28-23-18-15-19-24-28)26-27-21-16-14-17-22-27/h15-16,18-19,21,23-24,27,29H,4-14,17,20,22,25-26H2,1-3H3

InChI Key

NTAGOVGMGYPSMP-UHFFFAOYSA-N

Formula

C32H50O4

SMILES

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

Molecular Weight¹

498.74

• 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	1.0994		Relay (1.0) Calculated Property
ΔfG°	-82.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-970.22	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	60.37	kJ/mol	Joback Calculated Property
ΔvapH°	135.72	kJ/mol	Relay (1.0) Calculated Property
IE	8.82	eV	Relay (1.0) Calculated Property
log10WS	-7.40		Relay (1.0) Calculated Property
logPoct/wat	8.898		Crippen Calculated Property
McVol	437.700	ml/mol	McGowan Calculated Property
Pc	772.03	kPa	Joback Calculated Property
Inp	[3294.00; 3294.00]
Inp	3294.00		NIST
Inp	3294.00		NIST
Tboil	707.60	K	Relay (1.0) Calculated Property
Tc	938.52	K	Relay (1.0) Calculated Property
Tfus	295.86	K	Relay (1.0) Calculated Property
Vc	1.599	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1584.81; 1663.30]	J/mol×K	[1125.86; 1382.96]
Cp,gas	1584.81	J/mol×K	1125.86	Joback Calculated Property
Cp,gas	1601.89	J/mol×K	1168.71	Joback Calculated Property
Cp,gas	1617.14	J/mol×K	1211.56	Joback Calculated Property
Cp,gas	1630.75	J/mol×K	1254.41	Joback Calculated Property
Cp,gas	1642.86	J/mol×K	1297.26	Joback Calculated Property
Cp,gas	1653.66	J/mol×K	1340.11	Joback Calculated Property
Cp,gas	1663.30	J/mol×K	1382.96	Joback Calculated Property
η	[0.0000065; 0.0001630]	Pa×s	[616.70; 1125.86]
η	0.0001630	Pa×s	616.70	Joback Calculated Property
η	0.0000688	Pa×s	701.56	Joback Calculated Property
η	0.0000350	Pa×s	786.42	Joback Calculated Property
η	0.0000203	Pa×s	871.28	Joback Calculated Property
η	0.0000129	Pa×s	956.14	Joback Calculated Property
η	0.0000089	Pa×s	1041.00	Joback Calculated Property
η	0.0000065	Pa×s	1125.86	Joback Calculated Property

Similar Compounds

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

Sources

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

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