Chemical Properties of Succinic acid, cyclohexylmethyl cis-pent-2-en-1-yl ester

InChI

InChI=1S/C16H26O4/c1-2-3-7-12-19-15(17)10-11-16(18)20-13-14-8-5-4-6-9-14/h3,7,14H,2,4-6,8-13H2,1H3/b7-3-

InChI Key

RYJSVUVUISMZFG-CLTKARDFSA-N

Formula

C16H26O4

SMILES

CCC=CCOC(=O)CCC(=O)OCC1CCCCC1

Molecular Weight¹

282.38

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	37.97	kJ/mol	Joback Calculated Property
logPoct/wat	3.399		Crippen Calculated Property
McVol	236.020	ml/mol	McGowan Calculated Property
Inp	[2054.00; 2054.00]
Inp	2054.00		NIST
Inp	2054.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[325.45; 815.49]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.06250e+01
Coefficient B			1.55632e+00
Coefficient C			-8.22200e-04
Coefficient D			1.22000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	325.45	J/mol×K	273.00	Calculated Property
Cp,gas	412.46	J/mol×K	353.78	Calculated Property
Cp,gas	490.43	J/mol×K	434.56	Calculated Property
Cp,gas	559.74	J/mol×K	515.33	Calculated Property
Cp,gas	620.79	J/mol×K	596.11	Calculated Property
Cp,gas	673.95	J/mol×K	676.89	Calculated Property
Cp,gas	719.62	J/mol×K	757.67	Calculated Property
Cp,gas	758.17	J/mol×K	838.44	Calculated Property
Cp,gas	790.00	J/mol×K	919.22	Calculated Property
Cp,gas	815.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028113; 0.0001046]	Pa×s	[357.04; 632.77]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.34277e+01
Coefficient B			2.69695e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			357.04
Temperature range, max.			632.77
η	0.0028113	Pa×s	357.04	Calculated Property
η	0.0015476	Pa×s	387.68	Calculated Property
η	0.0009298	Pa×s	418.31	Calculated Property
η	0.0005988	Pa×s	448.95	Calculated Property
η	0.0004080	Pa×s	479.59	Calculated Property
η	0.0002911	Pa×s	510.22	Calculated Property
η	0.0002158	Pa×s	540.86	Calculated Property
η	0.0001651	Pa×s	571.50	Calculated Property
η	0.0001299	Pa×s	602.13	Calculated Property
η	0.0001046	Pa×s	632.77	Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, cyclohexylmethyl cis-pent-2-en-1-yl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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