Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, pentadecyl phenethyl ester

InChI

InChI=1S/C31H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-25-34-30(32)28-22-17-18-23-29(28)31(33)35-26-24-27-20-15-14-16-21-27/h14-18,20-21,28-29H,2-13,19,22-26H2,1H3

InChI Key

IOBZLESSXUAKOB-UHFFFAOYSA-N

Formula

C31H48O4

SMILES

CCCCCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCc1ccccc1

Molecular Weight¹

484.71

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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	1.1696		Relay (1.0) Calculated Property
ΔfusH°	72.95	kJ/mol	Joback Calculated Property
ΔvapH°	144.98	kJ/mol	Relay (1.0) Calculated Property
IE	8.87	eV	Relay (1.0) Calculated Property
log10WS	-7.64		Relay (1.0) Calculated Property
logPoct/wat	7.989		Crippen Calculated Property
McVol	423.610	ml/mol	McGowan Calculated Property
Pc	752.67	kPa	Joback Calculated Property
Inp	[3534.00; 3534.00]
Inp	3534.00		NIST
Inp	3534.00		NIST
Tboil	721.23	K	Relay (1.0) Calculated Property
Tc	941.12	K	Relay (1.0) Calculated Property
Tfus	309.63	K	Relay (1.0) Calculated Property
Vc	1.550	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1508.48; 1575.65]	J/mol×K	[1066.04; 1308.57]
Cp,gas	1508.48	J/mol×K	1066.04	Joback Calculated Property
Cp,gas	1524.83	J/mol×K	1106.46	Joback Calculated Property
Cp,gas	1538.99	J/mol×K	1146.88	Joback Calculated Property
Cp,gas	1551.05	J/mol×K	1187.30	Joback Calculated Property
Cp,gas	1561.11	J/mol×K	1227.72	Joback Calculated Property
Cp,gas	1569.28	J/mol×K	1268.15	Joback Calculated Property
Cp,gas	1575.65	J/mol×K	1308.57	Joback Calculated Property
η	[0.0000116; 0.0003191]	Pa×s	[554.11; 1066.04]
η	0.0003191	Pa×s	554.11	Joback Calculated Property
η	0.0001271	Pa×s	639.43	Joback Calculated Property
η	0.0000629	Pa×s	724.75	Joback Calculated Property
η	0.0000361	Pa×s	810.08	Joback Calculated Property
η	0.0000230	Pa×s	895.40	Joback Calculated Property
η	0.0000159	Pa×s	980.72	Joback Calculated Property
η	0.0000116	Pa×s	1066.04	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, pentadecyl phenethyl 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.
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