Chemical Properties of Sebacic acid, isohexyl tetradec-2-enyl ester

InChI

InChI=1S/C30H56O4/c1-4-5-6-7-8-9-10-11-12-15-18-21-26-33-29(31)24-19-16-13-14-17-20-25-30(32)34-27-22-23-28(2)3/h18,21,28H,4-17,19-20,22-27H2,1-3H3/b21-18+

InChI Key

KNCAOWIMRHRIGN-DYTRJAOYSA-N

Formula

C30H56O4

SMILES

CCCCCCCCCCCC=CCOC(=O)CCCCCCCCC(=O)OCCCC(C)C

Molecular Weight¹

480.76

• 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	1.2795		Relay (... Calculated Property
ΔfG°	-188.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-1209.57	kJ/mol	Relay (... Calculated Property
ΔfusH°	75.71	kJ/mol	Joback Calculated Property
ΔvapH°	132.09	kJ/mol	Relay (... Calculated Property
IE	9.24	eV	Relay (... Calculated Property
log10WS	-8.18		Relay (... Calculated Property
logPoct/wat	9.107		Crippen Calculated Property
McVol	444.140	ml/mol	McGowan Calculated Property
Pc	642.22	kPa	Joback Calculated Property
Inp	[3358.00; 3358.00]
Inp	3358.00		NIST
Inp	3358.00		NIST
Tboil	677.65	K	Relay (... Calculated Property
Tc	851.01	K	Relay (... Calculated Property
Tfus	285.70	K	Relay (... Calculated Property
Vc	1.673	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1577.07; 1688.31]	J/mol×K	[1042.10; 1301.69]
Cp,gas	1577.07	J/mol×K	1042.10	Joback Calculated Property
Cp,gas	1600.54	J/mol×K	1085.36	Joback Calculated Property
Cp,gas	1621.87	J/mol×K	1128.63	Joback Calculated Property
Cp,gas	1641.18	J/mol×K	1171.89	Joback Calculated Property
Cp,gas	1658.60	J/mol×K	1215.16	Joback Calculated Property
Cp,gas	1674.27	J/mol×K	1258.42	Joback Calculated Property
Cp,gas	1688.31	J/mol×K	1301.69	Joback Calculated Property
η	[0.0000092; 0.0002504]	Pa×s	[552.10; 1042.10]
η	0.0002504	Pa×s	552.10	Joback Calculated Property
η	0.0001011	Pa×s	633.77	Joback Calculated Property
η	0.0000502	Pa×s	715.43	Joback Calculated Property
η	0.0000288	Pa×s	797.10	Joback Calculated Property
η	0.0000183	Pa×s	878.77	Joback Calculated Property
η	0.0000126	Pa×s	960.43	Joback Calculated Property
η	0.0000092	Pa×s	1042.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sebacic acid, isohexyl tetradec-2-enyl ester.

Sources

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

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