Chemical Properties of Heptyl propyl carbonate (CAS 959272-47-0)

InChI

InChI=1S/C11H22O3/c1-3-5-6-7-8-10-14-11(12)13-9-4-2/h3-10H2,1-2H3

InChI Key

VOIGYUQYURXJCS-UHFFFAOYSA-N

Formula

C11H22O3

SMILES

CCCCCCCOC(=O)OCCC

Molecular Weight¹

202.29

CAS

959272-47-0

• 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_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	0.7091		Relay (1.0) Calculated Property
ΔfH°gas	-749.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.80	kJ/mol	Joback Calculated Property
ΔvapH°	71.03	kJ/mol	Relay (1.0) Calculated Property
IE	9.92	eV	Relay (1.0) Calculated Property
log10WS	-3.82		Relay (1.0) Calculated Property
logPoct/wat	3.520		Crippen Calculated Property
McVol	179.160	ml/mol	McGowan Calculated Property
Pc	1913.58	kPa	Joback Calculated Property
Inp	[1371.00; 1371.00]
Inp	1371.00		NIST
Inp	1371.00		NIST
Tboil	508.85	K	Relay (1.0) Calculated Property
Tc	656.85	K	Relay (1.0) Calculated Property
Tfus	219.22	K	Relay (1.0) Calculated Property
Vc	0.708	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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[270.57; 613.44]	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			4.37980e+01
Coefficient B			9.30840e-01
Coefficient C			-3.69000e-04
Coefficient D			7.80000e-09
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	270.57	J/mol×K	273.00	Calculated Property
Cp,gas	327.27	J/mol×K	353.78	Calculated Property
Cp,gas	379.26	J/mol×K	434.56	Calculated Property
Cp,gas	426.56	J/mol×K	515.33	Calculated Property
Cp,gas	469.21	J/mol×K	596.11	Calculated Property
Cp,gas	507.22	J/mol×K	676.89	Calculated Property
Cp,gas	540.63	J/mol×K	757.67	Calculated Property
Cp,gas	569.45	J/mol×K	838.44	Calculated Property
Cp,gas	593.71	J/mol×K	919.22	Calculated Property
Cp,gas	613.44	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037062; 0.0002073]	Pa×s	[278.29; 489.88]	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			-1.22743e+01
Coefficient B			1.85801e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			278.29
Temperature range, max.			489.88
η	0.0037062	Pa×s	278.29	Calculated Property
η	0.0022032	Pa×s	301.80	Calculated Property
η	0.0014119	Pa×s	325.31	Calculated Property
η	0.0009608	Pa×s	348.82	Calculated Property
η	0.0006864	Pa×s	372.33	Calculated Property
η	0.0005103	Pa×s	395.84	Calculated Property
η	0.0003923	Pa×s	419.35	Calculated Property
η	0.0003100	Pa×s	442.86	Calculated Property
η	0.0002509	Pa×s	466.37	Calculated Property
η	0.0002073	Pa×s	489.88	Calculated Property

Similar Compounds

Find more compounds similar to Heptyl propyl carbonate.

Sources

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

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