Chemical Properties of cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl 3-phenylpropyl ester

InChI

InChI=1S/C27H40O4/c1-2-3-4-5-6-7-8-14-21-30-26(28)24-19-12-13-20-25(24)27(29)31-22-15-18-23-16-10-9-11-17-23/h9-13,16-17,24-25H,2-8,14-15,18-22H2,1H3

InChI Key

AVTBCFBFTSWAQA-UHFFFAOYSA-N

Formula

C27H40O4

SMILES

CCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCCc1ccccc1

Molecular Weight¹

428.60

• 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	1.0205		Relay (1.0) Calculated Property
ΔfG°	-285.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-804.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.59	kJ/mol	Joback Calculated Property
ΔvapH°	129.04	kJ/mol	Relay (1.0) Calculated Property
IE	8.72	eV	Relay (1.0) Calculated Property
log10WS	-6.49		Relay (1.0) Calculated Property
logPoct/wat	6.429		Crippen Calculated Property
McVol	367.250	ml/mol	McGowan Calculated Property
Pc	940.37	kPa	Joback Calculated Property
Inp	[3123.00; 3123.00]
Inp	3123.00		NIST
Inp	3123.00		NIST
Tboil	698.98	K	Relay (1.0) Calculated Property
Tc	914.32	K	Relay (1.0) Calculated Property
Tfus	314.68	K	Relay (1.0) Calculated Property
Vc	1.335	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1258.73; 1332.03]	J/mol×K	[974.52; 1194.34]
Cp,gas	1258.73	J/mol×K	974.52	Joback Calculated Property
Cp,gas	1275.25	J/mol×K	1011.16	Joback Calculated Property
Cp,gas	1289.97	J/mol×K	1047.79	Joback Calculated Property
Cp,gas	1302.94	J/mol×K	1084.43	Joback Calculated Property
Cp,gas	1314.24	J/mol×K	1121.07	Joback Calculated Property
Cp,gas	1323.91	J/mol×K	1157.70	Joback Calculated Property
Cp,gas	1332.03	J/mol×K	1194.34	Joback Calculated Property
η	[0.0000217; 0.0005499]	Pa×s	[509.03; 974.52]
η	0.0005499	Pa×s	509.03	Joback Calculated Property
η	0.0002246	Pa×s	586.61	Joback Calculated Property
η	0.0001131	Pa×s	664.19	Joback Calculated Property
η	0.0000657	Pa×s	741.78	Joback Calculated Property
η	0.0000423	Pa×s	819.36	Joback Calculated Property
η	0.0000294	Pa×s	896.94	Joback Calculated Property
η	0.0000217	Pa×s	974.52	Joback Calculated Property

Similar Compounds

Find more compounds similar to cis-Cyclohex-4-en-1,2-dicarboxylic acid, decyl 3-phenylpropyl ester.

Sources

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

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