Chemical Properties of Succinic acid, cyclohexylmethyl 3-phenylpropyl ester

InChI

InChI=1S/C20H28O4/c21-19(23-15-7-12-17-8-3-1-4-9-17)13-14-20(22)24-16-18-10-5-2-6-11-18/h1,3-4,8-9,18H,2,5-7,10-16H2

InChI Key

HDWCSQGQABBUTI-UHFFFAOYSA-N

Formula

C20H28O4

SMILES

O=C(CCC(=O)OCC1CCCCC1)OCCCc1ccccc1

Molecular Weight¹

332.43

• 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	0.8310		Relay (1.0) Calculated Property
ΔfG°	-213.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-776.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	39.01	kJ/mol	Joback Calculated Property
ΔvapH°	106.35	kJ/mol	Relay (1.0) Calculated Property
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	-4.60		Relay (1.0) Calculated Property
logPoct/wat	4.066		Crippen Calculated Property
McVol	272.920	ml/mol	McGowan Calculated Property
Pc	1587.28	kPa	Joback Calculated Property
Inp	[2623.00; 2623.00]
Inp	2623.00		NIST
Inp	2623.00		NIST
Tboil	678.06	K	Relay (1.0) Calculated Property
Tc	876.18	K	Relay (1.0) Calculated Property
Tfus	295.30	K	Relay (1.0) Calculated Property
Vc	0.999	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[873.59; 954.71]	J/mol×K	[855.81; 1074.27]
Cp,gas	873.59	J/mol×K	855.81	Joback Calculated Property
Cp,gas	890.67	J/mol×K	892.22	Joback Calculated Property
Cp,gas	906.28	J/mol×K	928.63	Joback Calculated Property
Cp,gas	920.45	J/mol×K	965.04	Joback Calculated Property
Cp,gas	933.22	J/mol×K	1001.45	Joback Calculated Property
Cp,gas	944.62	J/mol×K	1037.86	Joback Calculated Property
Cp,gas	954.71	J/mol×K	1074.27	Joback Calculated Property
η	[0.0000560; 0.0007938]	Pa×s	[493.28; 855.81]
η	0.0007938	Pa×s	493.28	Joback Calculated Property
η	0.0004009	Pa×s	553.70	Joback Calculated Property
η	0.0002316	Pa×s	614.12	Joback Calculated Property
η	0.0001476	Pa×s	674.54	Joback Calculated Property
η	0.0001013	Pa×s	734.97	Joback Calculated Property
η	0.0000736	Pa×s	795.39	Joback Calculated Property
η	0.0000560	Pa×s	855.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl 3-phenylpropyl ester.

Sources

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

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