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

414.58

• 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°	-140.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-741.28	kJ/mol	Joback Calculated Property
ΔfusH°	56.84	kJ/mol	Joback Calculated Property
ΔvapH°	94.47	kJ/mol	Joback Calculated Property
log10WS	-6.80		Crippen Calculated Property
logPoct/wat	6.039		Crippen Calculated Property
McVol	353.160	ml/mol	McGowan Calculated Property
Pc	1052.09	kPa	Joback Calculated Property
Inp	[3031.00; 3031.00]
Inp	3031.00		NIST
Inp	3031.00		NIST
Tboil	987.58	K	Joback Calculated Property
Tc	1210.87	K	Joback Calculated Property
Tfus	557.42	K	Joback Calculated Property
Vc	1.349	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1212.00; 1285.45]	J/mol×K	[987.58; 1210.87]
Cp,gas	1212.00	J/mol×K	987.58	Joback Calculated Property
Cp,gas	1228.33	J/mol×K	1024.80	Joback Calculated Property
Cp,gas	1242.94	J/mol×K	1062.01	Joback Calculated Property
Cp,gas	1255.91	J/mol×K	1099.23	Joback Calculated Property
Cp,gas	1267.28	J/mol×K	1136.44	Joback Calculated Property
Cp,gas	1277.10	J/mol×K	1173.66	Joback Calculated Property
Cp,gas	1285.45	J/mol×K	1210.87	Joback Calculated Property
η	[0.0000336; 0.0004467]	Pa×s	[557.42; 987.58]
η	0.0004467	Pa×s	557.42	Joback Calculated Property
η	0.0002271	Pa×s	629.11	Joback Calculated Property
η	0.0001326	Pa×s	700.81	Joback Calculated Property
η	0.0000855	Pa×s	772.50	Joback Calculated Property
η	0.0000594	Pa×s	844.19	Joback Calculated Property
η	0.0000437	Pa×s	915.89	Joback Calculated Property
η	0.0000336	Pa×s	987.58	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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