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

InChI

InChI=1S/C29H44O4/c1-2-3-4-5-6-7-8-9-10-16-23-32-28(30)26-21-14-15-22-27(26)29(31)33-24-17-20-25-18-12-11-13-19-25/h11-15,18-19,26-27H,2-10,16-17,20-24H2,1H3

InChI Key

OYQHZDQQFVVJHB-UHFFFAOYSA-N

Formula

C29H44O4

SMILES

CCCCCCCCCCCCOC(=O)C1CC=CCC1C(=O)OCCCc1ccccc1

Molecular Weight¹

456.66

• 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	1.0958		Relay (1.0) Calculated Property
ΔfG°	-115.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-846.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.61	kJ/mol	Joback Calculated Property
ΔvapH°	135.72	kJ/mol	Relay (1.0) Calculated Property
IE	8.79	eV	Relay (1.0) Calculated Property
log10WS	-7.05		Relay (1.0) Calculated Property
logPoct/wat	7.209		Crippen Calculated Property
McVol	395.430	ml/mol	McGowan Calculated Property
Pc	880.00	kPa	Joback Calculated Property
Inp	[3328.00; 3328.00]
Inp	3328.00		NIST
Inp	3328.00		NIST
Tboil	712.19	K	Relay (1.0) Calculated Property
Tc	924.90	K	Relay (1.0) Calculated Property
Tfus	321.86	K	Relay (1.0) Calculated Property
Vc	1.441	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1399.07; 1469.14]	J/mol×K	[1056.22; 1293.87]
Cp,gas	1399.07	J/mol×K	1056.22	Joback Calculated Property
Cp,gas	1415.38	J/mol×K	1095.83	Joback Calculated Property
Cp,gas	1429.72	J/mol×K	1135.44	Joback Calculated Property
Cp,gas	1442.19	J/mol×K	1175.04	Joback Calculated Property
Cp,gas	1452.86	J/mol×K	1214.65	Joback Calculated Property
Cp,gas	1461.82	J/mol×K	1254.26	Joback Calculated Property
Cp,gas	1469.14	J/mol×K	1293.87	Joback Calculated Property
η	[0.0000214; 0.0003110]	Pa×s	[591.23; 1056.22]
η	0.0003110	Pa×s	591.23	Joback Calculated Property
η	0.0001538	Pa×s	668.73	Joback Calculated Property
η	0.0000880	Pa×s	746.23	Joback Calculated Property
η	0.0000560	Pa×s	823.73	Joback Calculated Property
η	0.0000385	Pa×s	901.22	Joback Calculated Property
η	0.0000281	Pa×s	978.72	Joback Calculated Property
η	0.0000214	Pa×s	1056.22	Joback Calculated Property

Similar Compounds

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

Sources

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

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