Chemical Properties of Succinic acid, dodec-2-en-1-yl 3-phenylpropyl ester

InChI

InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-9-10-14-21-28-24(26)19-20-25(27)29-22-15-18-23-16-12-11-13-17-23/h10-14,16-17H,2-9,15,18-22H2,1H3/b14-10+

InChI Key

OHTHKLKRZGLKQD-GXDHUFHOSA-N

Formula

C25H38O4

SMILES

CCCCCCCCC/C=C/COC(=O)CCC(=O)OCCCc1ccccc1

Molecular Weight¹

402.57

• 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	1.0499		Relay (1.0) Calculated Property
ΔfusH°	63.49	kJ/mol	Joback Calculated Property
ΔvapH°	126.73	kJ/mol	Relay (1.0) Calculated Property
IE	8.62	eV	Relay (1.0) Calculated Property
log10WS	-6.54		Relay (1.0) Calculated Property
logPoct/wat	6.183		Crippen Calculated Property
McVol	349.930	ml/mol	McGowan Calculated Property
Pc	961.48	kPa	Joback Calculated Property
Inp	[3041.00; 3041.00]
Inp	3041.00		NIST
Inp	3041.00		NIST
Tboil	676.31	K	Relay (1.0) Calculated Property
Tc	870.51	K	Relay (1.0) Calculated Property
Tfus	285.23	K	Relay (1.0) Calculated Property
Vc	1.283	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	[1138.44; 1221.40]	J/mol×K	[918.88; 1125.93]
Cp,gas	1138.44	J/mol×K	918.88	Joback Calculated Property
Cp,gas	1155.41	J/mol×K	953.39	Joback Calculated Property
Cp,gas	1171.04	J/mol×K	987.90	Joback Calculated Property
Cp,gas	1185.39	J/mol×K	1022.41	Joback Calculated Property
Cp,gas	1198.53	J/mol×K	1056.92	Joback Calculated Property
Cp,gas	1210.52	J/mol×K	1091.43	Joback Calculated Property
Cp,gas	1221.40	J/mol×K	1125.93	Joback Calculated Property
η	[0.0000173; 0.0005582]	Pa×s	[477.51; 918.88]
η	0.0005582	Pa×s	477.51	Joback Calculated Property
η	0.0002126	Pa×s	551.07	Joback Calculated Property
η	0.0001016	Pa×s	624.63	Joback Calculated Property
η	0.0000568	Pa×s	698.19	Joback Calculated Property
η	0.0000354	Pa×s	771.76	Joback Calculated Property
η	0.0000240	Pa×s	845.32	Joback Calculated Property
η	0.0000173	Pa×s	918.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, dodec-2-en-1-yl 3-phenylpropyl ester.

Sources

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

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