Chemical Properties of Oxepine, 2,7-dimethyl- (CAS 1487-99-6)

InChI

InChI=1S/C8H10O/c1-7-5-3-4-6-8(2)9-7/h3-6H,1-2H3

InChI Key

SFVUIUUSVAMYPP-UHFFFAOYSA-N

Formula

C8H10O

SMILES

CC1=CC=CC=C(C)O1

Molecular Weight¹

122.16

CAS

1487-99-6

• 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°	16.01	kJ/mol	Joback Calculated Property
logPoct/wat	2.380		Crippen Calculated Property
McVol	105.690	ml/mol	McGowan Calculated Property
Inp	[916.70; 954.00]
Inp	916.70		NIST
Inp	916.70		NIST
Inp	934.00		NIST
Inp	954.00		NIST
Inp	934.00		NIST
Inp	916.70		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	[132.96; 331.79]	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			-1.17900e+01
Coefficient B			6.12840e-01
Coefficient C			-3.15260e-04
Coefficient D			4.60000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	132.96	J/mol×K	273.00	Calculated Property
Cp,gas	167.60	J/mol×K	353.78	Calculated Property
Cp,gas	198.76	J/mol×K	434.56	Calculated Property
Cp,gas	226.60	J/mol×K	515.33	Calculated Property
Cp,gas	251.25	J/mol×K	596.11	Calculated Property
Cp,gas	272.86	J/mol×K	676.89	Calculated Property
Cp,gas	291.57	J/mol×K	757.67	Calculated Property
Cp,gas	307.53	J/mol×K	838.44	Calculated Property
Cp,gas	320.89	J/mol×K	919.22	Calculated Property
Cp,gas	331.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035946; 0.0001881]	Pa×s	[241.91; 465.44]	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			-1.17716e+01
Coefficient B			1.48612e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			241.91
Temperature range, max.			465.44
η	0.0035946	Pa×s	241.91	Calculated Property
η	0.0020288	Pa×s	266.75	Calculated Property
η	0.0012622	Pa×s	291.58	Calculated Property
η	0.0008460	Pa×s	316.42	Calculated Property
η	0.0006011	Pa×s	341.26	Calculated Property
η	0.0004473	Pa×s	366.09	Calculated Property
η	0.0003456	Pa×s	390.93	Calculated Property
η	0.0002754	Pa×s	415.77	Calculated Property
η	0.0002252	Pa×s	440.60	Calculated Property
η	0.0001881	Pa×s	465.44	Calculated Property

Similar Compounds

Find more compounds similar to Oxepine, 2,7-dimethyl-.

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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