Chemical Properties of di-n-Amylfumarate (CAS 20314-74-3)

InChI

InChI=1S/C14H24O4/c1-3-5-7-11-17-13(15)9-10-14(16)18-12-8-6-4-2/h9-10H,3-8,11-12H2,1-2H3/b10-9+

InChI Key

NFCMRHDORQSGIS-MDZDMXLPSA-N

Formula

C14H24O4

SMILES

CCCCCOC(=O)C=CC(=O)OCCCCC

Molecular Weight¹

256.34

CAS

20314-74-3

Other Names

• Dipentyl fumarate

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_boilr : Boiling point at reduced pressure (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	0.8170		Relay (1.0) Calculated Property
ΔfH°gas	-855.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.96	kJ/mol	Joback Calculated Property
ΔvapH°	80.60	kJ/mol	Relay (1.0) Calculated Property
IE	9.97	eV	Relay (1.0) Calculated Property
log10WS	-4.36		Relay (1.0) Calculated Property
logPoct/wat	3.009		Crippen Calculated Property
McVol	218.700	ml/mol	McGowan Calculated Property
Pc	1600.00	kPa	Joback Calculated Property
Inp	[1558.00; 1558.00]
Inp	1558.00		NIST
Inp	1558.00		NIST
Tboil	558.26	K	Relay (1.0) Calculated Property
Tc	721.62	K	Relay (1.0) Calculated Property
Tfus	266.00	K	Relay (1.0) Calculated Property
Vc	0.824	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[587.59; 669.53]	J/mol×K	[640.52; 816.98]
Cp,gas	587.59	J/mol×K	640.52	Joback Calculated Property
Cp,gas	603.17	J/mol×K	669.93	Joback Calculated Property
Cp,gas	617.96	J/mol×K	699.34	Joback Calculated Property
Cp,gas	631.98	J/mol×K	728.75	Joback Calculated Property
Cp,gas	645.23	J/mol×K	758.16	Joback Calculated Property
Cp,gas	657.75	J/mol×K	787.57	Joback Calculated Property
Cp,gas	669.53	J/mol×K	816.98	Joback Calculated Property
η	[0.0000845; 0.0029898]	Pa×s	[327.12; 640.52]
η	0.0029898	Pa×s	327.12	Joback Calculated Property
η	0.0010959	Pa×s	379.35	Joback Calculated Property
η	0.0005122	Pa×s	431.59	Joback Calculated Property
η	0.0002821	Pa×s	483.82	Joback Calculated Property
η	0.0001745	Pa×s	536.05	Joback Calculated Property
η	0.0001176	Pa×s	588.29	Joback Calculated Property
η	0.0000845	Pa×s	640.52	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to di-n-Amylfumarate.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.