Chemical Properties of 3-Butenyl chloroformate (CAS 88986-45-2)

InChI

InChI=1S/C5H7ClO2/c1-2-3-4-8-5(6)7/h2H,1,3-4H2

InChI Key

KLDLHTWQLPMOGM-UHFFFAOYSA-N

Formula

C5H7ClO2

SMILES

C=CCCOC(=O)Cl

Molecular Weight¹

134.56

CAS

88986-45-2

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

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-345.59	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.99	kJ/mol	Joback Calculated Property
ΔvapH°	39.78	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.938		Crippen Calculated Property
McVol	96.690	ml/mol	McGowan Calculated Property
Inp	[832.00; 832.00]
Inp	832.00		NIST
Inp	832.00		NIST
Tboil	398.43	K	Relay (1.0) Calculated Property
Tc	567.78	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Pressure, Critical Volume, 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	[131.48; 265.15]	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			3.36520e+01
Coefficient B			4.10800e-01
Coefficient C			-1.96900e-04
Coefficient D			1.76000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	131.48	J/mol×K	273.00	Calculated Property
Cp,gas	155.12	J/mol×K	353.78	Calculated Property
Cp,gas	176.43	J/mol×K	434.56	Calculated Property
Cp,gas	195.47	J/mol×K	515.33	Calculated Property
Cp,gas	212.29	J/mol×K	596.11	Calculated Property
Cp,gas	226.96	J/mol×K	676.89	Calculated Property
Cp,gas	239.52	J/mol×K	757.67	Calculated Property
Cp,gas	250.04	J/mol×K	838.44	Calculated Property
Cp,gas	258.56	J/mol×K	919.22	Calculated Property
Cp,gas	265.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0046879; 0.0002803]	Pa×s	[216.60; 414.72]	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			-1.12590e+01
Coefficient B			1.27712e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			216.60
Temperature range, max.			414.72
η	0.0046879	Pa×s	216.60	Calculated Property
η	0.0027211	Pa×s	238.61	Calculated Property
η	0.0017315	Pa×s	260.63	Calculated Property
η	0.0011821	Pa×s	282.64	Calculated Property
η	0.0008528	Pa×s	304.65	Calculated Property
η	0.0006430	Pa×s	326.67	Calculated Property
η	0.0005023	Pa×s	348.68	Calculated Property
η	0.0004041	Pa×s	370.70	Calculated Property
η	0.0003332	Pa×s	392.71	Calculated Property
η	0.0002803	Pa×s	414.72	Calculated Property

Similar Compounds

Find more compounds similar to 3-Butenyl chloroformate.

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

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.
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