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

InChI

InChI=1S/C26H38O4/c1-2-3-4-5-6-7-8-14-20-29-25(27)23-17-12-13-18-24(23)26(28)30-21-19-22-15-10-9-11-16-22/h9-13,15-16,23-24H,2-8,14,17-21H2,1H3

InChI Key

MDVYGJDYUZPTHX-UHFFFAOYSA-N

Formula

C26H38O4

SMILES

CCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCc1ccccc1

Molecular Weight¹

414.59

• 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	0.9821		Relay (1.0) Calculated Property
ΔfusH°	60.00	kJ/mol	Joback Calculated Property
ΔvapH°	125.11	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-6.24		Relay (1.0) Calculated Property
logPoct/wat	6.039		Crippen Calculated Property
McVol	353.160	ml/mol	McGowan Calculated Property
Pc	998.28	kPa	Joback Calculated Property
Inp	[3031.00; 3031.00]
Inp	3031.00		NIST
Inp	3031.00		NIST
Tboil	688.30	K	Relay (1.0) Calculated Property
Tc	908.71	K	Relay (1.0) Calculated Property
Tfus	300.66	K	Relay (1.0) Calculated Property
Vc	1.282	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	[1196.98; 1271.63]	J/mol×K	[951.64; 1168.40]
Cp,gas	1196.98	J/mol×K	951.64	Joback Calculated Property
Cp,gas	1213.59	J/mol×K	987.77	Joback Calculated Property
Cp,gas	1228.46	J/mol×K	1023.89	Joback Calculated Property
Cp,gas	1241.65	J/mol×K	1060.02	Joback Calculated Property
Cp,gas	1253.20	J/mol×K	1096.15	Joback Calculated Property
Cp,gas	1263.18	J/mol×K	1132.27	Joback Calculated Property
Cp,gas	1271.63	J/mol×K	1168.40	Joback Calculated Property
η	[0.0000252; 0.0006261]	Pa×s	[497.76; 951.64]
η	0.0006261	Pa×s	497.76	Joback Calculated Property
η	0.0002575	Pa×s	573.41	Joback Calculated Property
η	0.0001303	Pa×s	649.05	Joback Calculated Property
η	0.0000760	Pa×s	724.70	Joback Calculated Property
η	0.0000491	Pa×s	800.35	Joback Calculated Property
η	0.0000342	Pa×s	875.99	Joback Calculated Property
η	0.0000252	Pa×s	951.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl 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.
These property values are available through the Cheméo API. A free account gives you an access key.